AG005Z2X

74192-47-5 | 4-Amino-3-cyanobenzoic acid

AG005Z2X

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CAS Number	74192-47-5
Catalog Number	AG005Z2X(AGN-PC-0MXN7F)
Chemical Name	4-Amino-3-cyanobenzoic acid
IUPAC Name	4-amino-3-cyanobenzoic acid
InChI	InChI=1S/C8H6N2O2/c9-4-6-3-5(8(11)12)1-2-7(6)10/h1-3H,10H2,(H,11,12)
InChI Key	SCDUHKOJSMYVPO-UHFFFAOYSA-N
MDL Number	MFCD09745178
Molecular Formula	C8H6N2O2
Molecular Weight	162.1454
SMILES	O=C(O)C1=CC=C(N)C(C#N)=C1
Synonyms	4-AMINO-3-CYANOBENZOIC ACID, 74192-47-5, Benzoic acid, 4-amino-3-cyano-, Benzoicacid, 4-amino-3-cyano-, AK141776, 4-amino-3-cyano-benzoic Acid, 3-Cyano-4-aminobenzoic acid, 4-azanyl-3-cyano-benzoic acid, SCHEMBL4026182, CTK2H5586, DTXSID40434446, SCDUHKOJSMYVPO-UHFFFAOYSA-N, KS-00000RV8, MFCD09745178, ZINC34115404, AKOS022173476, CA-1682, CS-W006945, DS-7312, FCH1171243, AJ-87019, AX8281917, ST2405532, 4CH-017298, FT-0702535, A838055, CID10034907,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.043g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	162.148g/mol
Monoisotopic Mass	162.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	87.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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

Lot Number