AG000N2S

1250663-38-7 | Benzoic acid, 3-amino-4,5-dichloro-, methyl ester

AG000N2S

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CAS Number	1250663-38-7
Catalog Number	AG000N2S(AGN-PC-0BIG5Q)
Chemical Name	Benzoic acid, 3-amino-4,5-dichloro-, methyl ester
IUPAC Name	methyl 3-amino-4,5-dichlorobenzoate
InChI	InChI=1S/C8H7Cl2NO2/c1-13-8(12)4-2-5(9)7(10)6(11)3-4/h2-3H,11H2,1H3
InChI Key	VAEQHZXRVKQYBW-UHFFFAOYSA-N
MDL Number	MFCD14694721
Molecular Formula	C8H7Cl2NO2
Molecular Weight	220.0527
SMILES	O=C(OC)C1=CC(Cl)=C(Cl)C(N)=C1
Synonyms	Methyl 3-amino-4,5-dichlorobenzoate, 1250663-38-7, KS-00000OIZ, MFCD14694721, ZINC48671137, AKOS010564564, AK-68103, DS-16864, AJ-110972, Benzoic acid, 3-amino-4,5-dichloro-, methyl ester,

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	2.3

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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