AG00382W

33720-71-7 | 5-Acetyl-2-aminobenzonitrile

AG00382W

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CAS Number	33720-71-7
Catalog Number	AG00382W(AGN-PC-0NBWKG)
Chemical Name	5-Acetyl-2-aminobenzonitrile
IUPAC Name	5-acetyl-2-aminobenzonitrile
InChI	InChI=1S/C9H8N2O/c1-6(12)7-2-3-9(11)8(4-7)5-10/h2-4H,11H2,1H3
InChI Key	SJXQSPLLUXAJQJ-UHFFFAOYSA-N
MDL Number	MFCD18379155
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
SMILES	C(C)(=O)C=1C=CC(=C(C#N)C1)N
Synonyms	5-Acetyl-2-aminobenzonitrile, 33720-71-7, 4'-Amino-3'-cyanoacetophenone, 2-Amino-5-acetylbenzonitrile, 5-acetyl-2-amino-benzonitrile, 5-Acetyl-anthranilonitrile, Benzonitrile, 5-acetyl-2-amino-, 5-Acetylanthranilonitrile, SCHEMBL3734286, CTK8B6177, DTXSID20446340, SJXQSPLLUXAJQJ-UHFFFAOYSA-N, 3962AB, ANW-52893, CL8661, MFCD18379155, ZINC34540171, AKOS015841049, AS05770, CM12900, FCH1144084, ACM33720717, AJ-89181, AK-94338, AS-46067, SC-53416, AB0087468, AX8231682, TX-012250, 4CH-011807, CS-0040846, FT-0661132, ST24023799, X-3686, J-019303, C9H8N2O, Benzonitrile,5-acetyl-2-amino-, ACN-029372, CID10866627, Benzonitrile, 5-acetyl-2-amino- (9CI),

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.064g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	160.176g/mol
Monoisotopic Mass	160.064g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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