AG00BXBL

35704-19-9 | 4-ACETAMIDOBENZONITRILE

AG00BXBL

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CAS Number	35704-19-9
Catalog Number	AG00BXBL(AGN-PC-0JKPKD)
Chemical Name	4-ACETAMIDOBENZONITRILE
EC Number	252-685-2
IUPAC Name	N-(4-cyanophenyl)acetamide
InChI	InChI=1S/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12)
InChI Key	UFKRTEWFEYWIHD-UHFFFAOYSA-N
MDL Number	MFCD00001814
Molecular Formula	C9H8N2O
Molecular Weight	160.1726
NSC Number	88010
SMILES	CC(NC1=CC=C(C#N)C=C1)=O
Synonyms	4-cyanoacetanilide, N-(4-Cyanophenyl)acetamide, 35704-19-9, 4-Cyanoacetanilide, 4-Acetamidobenzonitrile, 4'-Cyanoacetanilide, Acetamide, N-(4-cyanophenyl)-, p-Acetamidobenzonitirle, p-Acetylamino-benzonitrile, p-Cyanoacetanilide, NSC 88010, ACETANILIDE, 4'-CYANO-, p-Acetaminobenzonitrile, p-Acetylamino-benzonitrile [French], EINECS 252-685-2, MFCD00001814, BRN 0776361, 4'-Cyanoacetanilide, 98%, UFKRTEWFEYWIHD-UHFFFAOYSA-N, N1-(4-Cyanophenyl)Acetamide, PubChem13216, 4-aceta-midobenzonitrile, 4-Acetamido benzonitrile, 4-Cyano-N-acetylaniline, N-Acetyl-4-cyanoaniline, AC1L1XDC, Maybridge1_008955, ACMC-1CT27, N-(4-cyanophenyl)ethanamide, Oprea1_707107, 4-14-00-01203 (Beilstein Handbook Reference), Acetamide,N-(4-cyanophenyl)-, N-(4-Cyanophenyl)acetamide #, SCHEMBL1344408, CTK4H5200, HMS566P01, KS-00000NWJ, DTXSID20189225, ZINC127805, ACT08033, NSC88010, ANW-60780, CCG-40526, NSC-88010, SBB059552, AKOS000200004, DS-2382, MCULE-6501152221, VZ28896, AJ-11998, AK-80147, CJ-00958, LS-10594, ST079383, ZB004436, AB0061243, DB-013192, ST2419660, TC-149525, 4CH-015751, CS-0028724, FT-0629675, Z4646, 10.14272/UFKRTEWFEYWIHD-UHFFFAOYSA-N, M-4389, A822950, AQ-917/40174211, doi:10.14272/UFKRTEWFEYWIHD-UHFFFAOYSA-N, InChI=1/C9H8N2O/c1-7(12)11-9-4-2-8(6-10)3-5-9/h2-5H,1H3,(H,11,12, C9H8N2O, C9-H8-N2-O, CID37256,

Complexity	208
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	2
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	52.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number