AG00AQ6S

153775-42-9 | 4-Cyano-3-nitrobenzoic acid

AG00AQ6S

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CAS Number	153775-42-9
Catalog Number	AG00AQ6S(AGN-PC-03LDEH)
Chemical Name	4-Cyano-3-nitrobenzoic acid
IUPAC Name	4-cyano-3-nitrobenzoic acid
InChI	InChI=1S/C8H4N2O4/c9-4-6-2-1-5(8(11)12)3-7(6)10(13)14/h1-3H,(H,11,12)
InChI Key	JVPRJKPSKHSUDO-UHFFFAOYSA-N
MDL Number	MFCD16876894
Molecular Formula	C8H4N2O4
Molecular Weight	192.1284
SMILES	O=C(O)C1=CC=C(C#N)C([N+]([O-])=O)=C1
Synonyms	4-cyano-3-nitrobenzoic acid, 4-cyano-3-nitrobenzoic acid, 153775-42-9, 4-cyano-3-nitro-benzoic acid, GEO-02516, AK158191, W-200133, PubChem22231, Cyclopropylbenzoyl chloride, Intermediates-ZCF02170, 3-Nitro-4-cyanobenzoic acid, SCHEMBL288907, DTXSID60623133, JVPRJKPSKHSUDO-UHFFFAOYSA-N, MFCD16876894, ZINC75629647, AKOS016015701, CM12631, CM12632, FCH1139353, LS10049, QC-9001, 4-Cyano-3-nitrobenzoic acid, AldrichCPR, AS-19427, AB0033987, AJ-121870, AX8292071, CS-0042923, X8067, S-7999, C8H4N2O4,

Complexity	300
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.017g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.13g/mol
Monoisotopic Mass	192.017g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	107A^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
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number