AG00DCSD

43038-36-4 | Benzoic acid, 4-cyano-, hydrazide (9CI)

AG00DCSD

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CAS Number	43038-36-4
Catalog Number	AG00DCSD(AGN-PC-0JRFSL)
Chemical Name	Benzoic acid, 4-cyano-, hydrazide (9CI)
IUPAC Name	4-cyanobenzohydrazide
InChI	InChI=1S/C8H7N3O/c9-5-6-1-3-7(4-2-6)8(12)11-10/h1-4H,10H2,(H,11,12)
InChI Key	PJWRZYGGTHXGQO-UHFFFAOYSA-N
MDL Number	MFCD03014503
Molecular Formula	C8H7N3O
Molecular Weight	161.1607
SMILES	O=C(NN)C1=CC=C(C#N)C=C1
Synonyms	4-cyanobenzohydrazide, 43038-36-4, 4-cyanobenzhydrazide, 4-Cyanobenzoylhydrazine, Benzoic acid, 4-cyano-, hydrazide (9CI), 4CNPhCON2, 4-cyano-benzohydrazide, AC1L9VFE, 4-???benzenecarbonitrile, AC1Q54SX, SCHEMBL221653, 4-cyano-benzoic acid hydrazide, 4-Cyanobenzoic acid, hydrazide, CTK7F0243, KS-00000IKZ, DTXSID30332442, PJWRZYGGTHXGQO-UHFFFAOYSA-N, ALBB-005868, ZINC5893982, ANW-45041, BBL018013, MFCD03014503, STK503581, AKOS002657037, CS-W020613, MCULE-4479900836, AJ-55139, AK-92904, CJ-12788, DS-17701, SC-39856, AB0024897, TR-058926, 4CH-009381, BB 0240913, ST24029063, ST50946557, W6257, EN300-60067, M-9781, 014C503, C8H7N3O, CID456732, ACN-040574, (3-methylbenzyl)(tetrahydro-2-furanylmethyl)amine hydrochloride, 1865223-60-4,

Complexity	210
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	161.164g/mol
Monoisotopic Mass	161.059g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number