AG00DG7M

500577-99-1 | 4-Amino-3,5-difluorobenzoic acid

AG00DG7M

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CAS Number	500577-99-1
Catalog Number	AG00DG7M(AGN-PC-0JP5YC)
Chemical Name	4-Amino-3,5-difluorobenzoic acid
IUPAC Name	4-amino-3,5-difluorobenzoic acid
InChI	InChI=1S/C7H5F2NO2/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2H,10H2,(H,11,12)
InChI Key	MJHZRTJMDQYAHN-UHFFFAOYSA-N
MDL Number	MFCD03407440
Molecular Formula	C7H5F2NO2
Molecular Weight	173.1169
NSC Number	135302
SMILES	NC1=C(F)C=C(C=C1F)C(O)=O
Synonyms	4-amino-3,5-difluorobenzoic acid, 500577-99-1, Benzoic acid, 4-amino-3,5-difluoro-, NSC135302, AC1L5VSD, SCHEMBL1019170, CTK7I6949, 4-ammo-3,5-difluorobenzoic acid, DTXSID10300184, MJHZRTJMDQYAHN-UHFFFAOYSA-N, 3,5-difluoro-4-aminobenzoic acid, WT276, KS-00000P2V, ZINC1721817, 4-Amino-3,5-difluoro-benzoic acid, ANW-68831, MFCD03407440, AKOS012489412, CM12381, MCULE-6905899777, MP-1064, NSC 135302, NSC-135302, AC-28627, AJ-31014, AK-61347, DS-14756, SY035420, TC-157576, 4CH-010839, CS-0028247, ST24023275, X6997, MFCD03407440 (95%), Z1741980985, C7H5F2NO2, 4-Amino-3,5-difluorobenzoicacid, CID282133, ACN-056556,

Complexity	176
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

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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