Methyl 2-Amino-6-chlorobenzoate - CAS 41632-04-6

Catalog:	BB024920
Product Name:	Methyl 2-Amino-6-chlorobenzoate
CAS:	41632-04-6
Synonyms:	2-amino-6-chlorobenzoic acid methyl ester; methyl 2-amino-6-chlorobenzoate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-6-chlorobenzoate
Description:	Methyl 2-Amino-6-chlorobenzoate (CAS# 41632-04-6 ) is a useful research chemical.
Molecular Weight:	185.61
Molecular Formula:	C8H8ClNO2
Canonical SMILES:	COC(=O)C1=C(C=CC=C1Cl)N
InChI:	InChI=1S/C8H8ClNO2/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4H,10H2,1H3
InChI Key:	BXRYSXCIRIKKJV-UHFFFAOYSA-N
MDL:	MFCD16036437
LogP:	2.29000

Publication Number	Title	Priority Date
CN-111909157-A	EZH2 inhibitors and uses thereof	20190507
WO-2020224607-A1	Ezh2 inhibitor and use thereof	20190507
CN-113365989-A	EZH2 inhibitors and uses thereof	20190507
WO-2020109350-A1	3-(phenylsulfonyl)-[1,2,3]triazolo[1,5a]quinazolin-5(4h)-one derivatives	20181128
CN-110563631-A	compound for inhibiting IDO and application thereof	20180605

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
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:	1
Isotope Atom Count:	0
Monoisotopic Mass:	185.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2