AG000QBK

120100-15-4 | Benzoic acid, 3-amino-2-chloro-, methyl ester

AG000QBK

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CAS Number	120100-15-4
Catalog Number	AG000QBK(AGN-PC-003VWC)
Chemical Name	Benzoic acid, 3-amino-2-chloro-, methyl ester
IUPAC Name	methyl 3-amino-2-chlorobenzoate
InChI	InChI=1S/C8H8ClNO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,10H2,1H3
InChI Key	NKBQKMXNIWIFAE-UHFFFAOYSA-N
MDL Number	MFCD16036890
Molecular Formula	C8H8ClNO2
Molecular Weight	185.6076
SMILES	O=C(OC)C1=CC=CC(N)=C1Cl
Synonyms	METHYL 3-AMINO-2-CHLOROBENZOATE, 120100-15-4, Benzoic acid, 3-amino-2-chloro-, methyl ester, SCHEMBL1127275, methyl 2-chloro-3-aminobenzoate, methyl 3 amino-2-chlorobenzoate, DTXSID70568748, NKBQKMXNIWIFAE-UHFFFAOYSA-N, MFCD16036890, ZINC34476098, AKOS022173513, DS-7313, AJ-88782, AK141780, 2-chloro-3-aminobenzoic acid methyl ester, 2-Chloro-3-amino-benzoic acid methyl ester, FT-0717257, Benzothiazole, 7-methyl-, SC-37111,

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	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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