Methyl 4-chloro-5-methylisoxazole-3-carboxylate - CAS 1855898-97-3

Catalog:	BB050786
Product Name:	Methyl 4-chloro-5-methylisoxazole-3-carboxylate
CAS:	1855898-97-3
Synonyms:	3-Isoxazolecarboxylic acid, 4-chloro-5-methyl-, methyl ester; 4-Chloro-5-methyl-isoxazole-3-carboxylic acid methyl ester

Technical Data

Computed Properties

IUPAC Name:	methyl 4-chloro-5-methyl-1,2-oxazole-3-carboxylate
Molecular Weight:	175.57
Molecular Formula:	C6H6ClNO3
Canonical SMILES:	CC1=C(C(=NO1)C(=O)OC)Cl
InChI:	InChI=1S/C6H6ClNO3/c1-3-4(7)5(8-11-3)6(9)10-2/h1-2H3
InChI Key:	KMCFDISHEIYRIR-UHFFFAOYSA-N
Boiling Point:	270.2±35.0°C (Predicted)
Purity:	≥95%
Density:	1.334±0.06 g/cm3 (Predicted)

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Halides

[134005-20-2]
(Z)-1,3-Diiodo-2-butene
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene

Isoxazoles

[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[1039833-39-0]
3-Cyclobutylisoxazol-5-amine
[3209-72-1]
Ethyl 5-methylisoxazole-3-carboxylate
[51135-73-0]
Ethyl 5-methylisoxazole-4-carboxylate
[88958-15-0]
Ethyl 5-p-tolylisoxazole-3-carboxylate

Complexity:	164
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.0036207
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.0036207
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6