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

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Halides

[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[1448610-48-7]
1-(4-Bromo-3-methylphenyl)cyclobutanol
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride
[1431970-24-9]
2,2-Difluoro-N-[1-(1-methylpyrazol-4-yl)ethyl]ethanamine hydrochloride

Isoxazoles

[883541-40-0]
3-(3-Fluorophenyl)isoxazole-5-carboxylic acid
[618383-47-4]
3-(4-Methoxyphenyl)isoxazole-5-carboxylic acid
[861433-83-2]
5-(3,4-Dichlorophenyl)isoxazole-3-carbonyl chloride
[100189-59-1]
Ethyl 5-(2-pyridyl)-4,5-dihydroisoxazole-3-carboxylate
[81282-12-4]
Ethyl 5-(4-chlorophenyl)isoxazole-3-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