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Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate

Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate - CAS 163719-81-1

Catalog:	BB050087
Product Name:	Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
CAS:	163719-81-1
Synonyms:	Ethyl 3-(4-fluorophenyl)-[1,2,4]oxadiazole-5-carboxylate; 1,2,4-Oxadiazole-5-carboxylic acid, 3-(4-fluorophenyl)-, ethyl ester

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
Description:	Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate (CAS# 163719-81-1 ) is a useful research chemical.
Molecular Weight:	236.20
Molecular Formula:	C11H9FN2O3
Canonical SMILES:	CCOC(=O)C1=NC(=NO1)C2=CC=C(C=C2)F
InChI:	InChI=1S/C11H9FN2O3/c1-2-16-11(15)10-13-9(14-17-10)7-3-5-8(12)6-4-7/h3-6H,2H2,1H3
InChI Key:	BCZQNQXJPMUTQA-UHFFFAOYSA-N
Purity:	95 %

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[55441-25-3]
1-(2-Cyanophenyl)urea
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

Fluorinated Building Blocks

[1427357-61-6]
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1946823-77-3]
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[452-76-6]
2,4-Difluorotoluene
[35989-28-7]
2,5-Dichloro-4-fluorobenzoic acid

Oxadiazole/Thiadiazole

[1006326-48-2]
Ethyl 3-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methyl-1H-pyrazole-5-carboxylate
[96898-36-1]
Ethyl 3-(4-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956264-16-7]
Ethyl 3-[(4-bromopyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate
[956263-73-3]
Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate
[1018125-29-5]
Ethyl 3-cyclopropyl-1,2,4-oxadiazole-5-carboxylate

Oxygen Compounds

[134769-80-5]
3-Methylphenylacetaldehyde dimethyl acetal
[52378-69-5]
Diethyl trans-cinnamylphosphonate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.05972032
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.05972032
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5