2-Amino-4-chloro-5-methylbenzoic Acid - CAS 155184-81-9

Catalog:	BB011097
Product Name:	2-Amino-4-chloro-5-methylbenzoic Acid
CAS:	155184-81-9
Synonyms:	2-amino-4-chloro-5-methylbenzoic acid; 2-amino-4-chloro-5-methylbenzoic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-amino-4-chloro-5-methylbenzoic acid
Description:	2-Amino-4-chloro-5-methylbenzoic Acid (CAS# 155184-81-9) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	CC1=C(C=C(C(=C1)C(=O)O)N)Cl
InChI:	InChI=1S/C8H8ClNO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,10H2,1H3,(H,11,12)
InChI Key:	FDCMZVNLUFYRAI-UHFFFAOYSA-N
Boiling Point:	354.2 °C at 760 mmHg
Density:	1.401 g/cm³
LogP:	2.51000

Publication Number	Title	Priority Date
WO-2016148145-A1	PYRAZOLO[1,5-a]PYRIMIDINE COMPOUND	20150316
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-2013253539-A1	Benzamide derivative	20120424

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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
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	185.0243562
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3