AG00CISI

41632-04-6 | 2-Amino-6-chlorobenzoic acid methyl ester

AG00CISI

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CAS Number	41632-04-6
Catalog Number	AG00CISI(AGN-PC-0JTG5C)
Chemical Name	2-Amino-6-chlorobenzoic acid methyl ester
IUPAC Name	methyl 2-amino-6-chlorobenzoate
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 Number	MFCD16036437
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	C(=O)(OC)c1c(Cl)cccc1N
Synonyms	Methyl 2-amino-6-chlorobenzoate, 41632-04-6, 2-Amino-6-chlorobenzoic acid methyl ester, 2-Amino-6-chloro-benzoic acid methyl ester, Benzoic acid, 2-amino-6-chloro-, methyl ester, BXRYSXCIRIKKJV-UHFFFAOYSA-N, AC1LC1ST, methyl 6-chloroanthranilate, methyl 6-chloro-anthranilate, SCHEMBL1188368, CTK8B4869, DTXSID10343879, Methyl 2-amino-6-chlorobenzoate #, ANW-46571, MFCD16036437, RW4101, ZINC32191995, AKOS005259304, AS04677, QC-3650, AJ-84961, SC-34150, Benzoicacid,2-amino-6-chloro-,methylester, AB0024842, TC-135316, 4CH-011488, FT-0765756, ST24025217, W6190, X-4010, Z-9175, I01-19611, Z1179867296, C8H8ClNO2, CID592849, 2-Amino-6-chlorobenzoicacidmethylester, 2-amino-6-chloro benzoicacid methylester,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	185.024g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	185.607g/mol
Monoisotopic Mass	185.024g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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