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Methyl 2-Acetamido-4-chloro-5-methylbenzoate

Methyl 2-Acetamido-4-chloro-5-methylbenzoate - CAS 755031-82-4

Name: Methyl 2-Acetamido-4-chloro-5-methylbenzoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035344
Product Name:	Methyl 2-Acetamido-4-chloro-5-methylbenzoate
CAS:	755031-82-4
Synonyms:	2-acetamido-4-chloro-5-methylbenzoic acid methyl ester; methyl 2-acetamido-4-chloro-5-methylbenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-acetamido-4-chloro-5-methylbenzoate
Description:	Methyl 2-Acetamido-4-chloro-5-methylbenzoate (CAS# 755031-82-4 ) is a useful research chemical.
Molecular Weight:	241.67
Molecular Formula:	C11H12ClNO3
Canonical SMILES:	CC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C)Cl
InChI:	InChI=1S/C11H12ClNO3/c1-6-4-8(11(15)16-3)10(5-9(6)12)13-7(2)14/h4-5H,1-3H3,(H,13,14)
InChI Key:	QMJDAQNHJVXKBU-UHFFFAOYSA-N
LogP:	2.46640

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[1018125-51-3]C12H12F3N3O2
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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Publication Number	Title	Priority Date
US-2015239900-A1	Inhibitors of kras g12c	20131010
US-2018118757-A1	Substituted quinazolines as inhibitors of kras g12c	20131010
US-9840516-B2	Substituted quinazolines as inhibitors of KRAS G12C	20131010
AU-2004215359-A1	Heterocyclic kinase inhibitors	20030227
CA-2515790-C	Heterocyclic kinase inhibitors	20030227

Complexity:	282
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.0505709
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	241.0505709
Rotatable Bond Count:	3
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5