AG001QAV

158580-94-0 | Benzoic acid, 2-amino-3,4-difluoro-

AG001QAV

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CAS Number	158580-94-0
Catalog Number	AG001QAV(AGN-PC-03RCYI)
Chemical Name	Benzoic acid, 2-amino-3,4-difluoro-
IUPAC Name	2-amino-3,4-difluorobenzoic acid
InChI	InChI=1S/C7H5F2NO2/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2H,10H2,(H,11,12)
InChI Key	PRCKBMHGMGFYHG-UHFFFAOYSA-N
MDL Number	MFCD09743511
Molecular Formula	C7H5F2NO2
Molecular Weight	173.1169
SMILES	NC1=C(C=CC(F)=C1F)C(O)=O
Synonyms	2-AMINO-3,4-DIFLUOROBENZOIC ACID, 158580-94-0, Benzoic acid, 2-amino-3,4-difluoro-, 2-Amino-3,4-difluoro-benzoic acid, Intermediates-ZCF02202, KSC495O1N, SCHEMBL6754768, CTK3J5716, DTXSID40627018, PRCKBMHGMGFYHG-UHFFFAOYSA-N, ACT07303, BCP23903, Benzoicacid,2-amino-3,4-difluoro-, 7958AA, ANW-58567, CL8017, MFCD09743511, ZINC40230884, AKOS010308275, AB51174, CM12372, AK-80079, DS-15858, SC-45025, AB0065359, AJ-101624, RT-002662, CS-0037720, ST24039875, 2-amino-3,4-difluorobenzoic acid, AldrichCPR, Z-4826, C7H5F2NO2,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.029g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	173.119g/mol
Monoisotopic Mass	173.029g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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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