AG00GAJN

844647-17-2 | methyl 2-amino-4,5-dichlorobenzoate

AG00GAJN

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CAS Number	844647-17-2
Catalog Number	AG00GAJN(AGN-PC-00EA0C)
Chemical Name	methyl 2-amino-4,5-dichlorobenzoate
IUPAC Name	methyl 2-amino-4,5-dichlorobenzoate
InChI	InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-5(9)6(10)3-7(4)11/h2-3H,11H2,1H3
InChI Key	GPQSHTPSMYICPA-UHFFFAOYSA-N
MDL Number	MFCD15523635
Molecular Formula	C8H7Cl2NO2
Molecular Weight	220.0527
SMILES	NC1=C(C(=O)OC)C=C(C(=C1)Cl)Cl
Synonyms	Methyl 2-amino-4,5-dichlorobenzoate, 844647-17-2, 2-amino-4,5-dichloro-benzoic acid methyl ester, SCHEMBL1884944, GPQSHTPSMYICPA-UHFFFAOYSA-N, MFCD15523635, ZINC38258951, AKOS028113723, AS-46243, SC-54554, FT-0707419, Benzoic acid, 2-amino-4,5-dichloro-, methyl ester, BENZOIC ACID,2-AMINO-4,5-DICHLORO-,METHYL ESTER, Z1966492766, Methyl 2-amino-4,5-dichloro-benzoate, CID11694243, 1250663-38-7,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.985g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.049g/mol
Monoisotopic Mass	218.985g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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