5-(4-Nitrophenyl)-4-oxazolecarboxylic acid - CAS 914220-30-7

Catalog:	BB050038
Product Name:	5-(4-Nitrophenyl)-4-oxazolecarboxylic acid
CAS:	914220-30-7
Synonyms:	5-(4-Nitro-phenyl)-oxazole-4-carboxylic acid; 5-(4-Nitrophenyl)oxazole-4-carboxylic acid

Technical Data

Computed Properties

IUPAC Name:	5-(4-nitrophenyl)-1,3-oxazole-4-carboxylic acid
Description:	5-(4-Nitrophenyl)-4-oxazolecarboxylic acid (CAS# 914220-30-7 ) is a useful research chemical.
Molecular Weight:	234.16
Molecular Formula:	C10H6N2O5
Canonical SMILES:	C1=CC(=CC=C1C2=C(N=CO2)C(=O)O)[N+](=O)[O-]
InChI:	InChI=1S/C10H6N2O5/c13-10(14)8-9(17-5-11-8)6-1-3-7(4-2-6)12(15)16/h1-5H,(H,13,14)
InChI Key:	PUWYNVGKYCYJJF-UHFFFAOYSA-N
Boiling Point:	439.177 °C at 760 mmHg
Purity:	95 %
Density:	1.51 g/cm³

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Related Functional Groups

Arenes

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1106917-71-8]
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1011396-69-2]
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1292836-16-8]
1-(4-Chloro-2-fluoro-5-nitrophenyl)ethanone
[10442-48-5]
2-(4-Iodophenoxy)propanoic Acid
[610-74-2]
2,5-diaminobenzoic acid

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[55877-31-1]
1-Benzofuran-3-carbonitrile

Oxazole/Thiazole

[859473-05-5]
N-(3,4-Dichlorophenyl)-1,3-thiazol-2-amine
[1018165-66-6]
2-[(5-(2-Furyl)isoxazol-3-yl)methoxy]acetic acid
[16188-30-0]
4-Thiazolemethanamine
[13610-81-6]
(2-Oxo-1,3-benzoxazol-3(2H)-yl)acetaldehyde
[937598-16-8]
Ethyl 2-[(4-acetylphenyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
[54001-12-6]
ETHYL 2-(4-CHLOROPHENYL)-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE

Complexity:	308
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.0276713
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.0276713
Rotatable Bond Count:	2
Topological Polar Surface Area:	109
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7