AG003KU3

31603-77-7 | 2-([1,1'-biphenyl]-4-yl)acetonitrile

AG003KU3

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CAS Number	31603-77-7
Catalog Number	AG003KU3(AGN-PC-0JKOPG)
Chemical Name	2-([1,1'-biphenyl]-4-yl)acetonitrile
IUPAC Name	2-(4-phenylphenyl)acetonitrile
InChI	InChI=1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2
InChI Key	HSZCNGTZJWZAMF-UHFFFAOYSA-N
MDL Number	MFCD00016403
Molecular Formula	C14H11N
Molecular Weight	193.2438
NSC Number	114981
SMILES	C2=C(C1=CC=CC=C1)C=CC(=C2)CC#N
Synonyms	4-Biphenylacetonitrile, 31603-77-7, 2-([1,1'-Biphenyl]-4-yl)acetonitrile, 2-(4-phenylphenyl)acetonitrile, [1,1'-Biphenyl]-4-acetonitrile, 4-Biphenyl-Acetonitrile, 4-CYANOMETHYLBIPHENYL, p-Biphenylacetonitrile, p-Biphenylylacetonitrile, 4-Biphenylylacetonitrile, p-Phenyl benzyl cyanide, 4-(Cyanomethyl)biphenyl, 4-Phenylphenylacetonitrile, 4-Biphenylacetonitrile, 97%, 2-(4-phenylphenyl)ethanenitrile, HSZCNGTZJWZAMF-UHFFFAOYSA-N, [1,1'-Biphenyl]-4-ylacetonitrile, MFCD00016403, AK-48917, 2-{[1,1'-biphenyl]-4-yl}acetonitrile, NSC114981, 4-phenylbenzylcyanide, 4-Cyanomethyldiphenyl, 4-Phenylbenzyl cyanide, ACMC-1ADVD, AC1L1UKP, 4-phenyl-phenylacetonitrile, AC1Q4S0Y, KSC223E9H, SCHEMBL343612, 2-(biphenyl-4-yl)acetonitrile, Jsp005889, alpha-(4-biphenylyl)acetonitrile, CTK1C3293, DTXSID50185492, (Biphenyl-4-yl)acetonitrile 96%, ACT08064, KS-00000H3K, ZINC1704884, ZX-AT010358, ANW-27164, OR5614, SBB005894, AKOS004116525, [1,1'-Biphenyl]-4-ylacetonitrile #, GS-3150, MCULE-8275392819, NSC-114981, RTR-013406, TRA0097367, ACM31603777, AJ-30589, BR-48917, CC-18089, CJ-06722, CJ-28818, SC-76799, ST066899, SY017136, AB0006121, AX8015218, DB-048077, TR-013406, BB 0223201, FT-0617679, ST24032360, M-6493, MFCD00016403 (97+%), 603B777, A820926, C-08584, I01-1949, J-018487, 4-Iodo-o-xylene, 3,4-dimethyliodobenzene, 1,2-Dimethyl-4-iodobenzene, C14H11N, CID35856, ACN-048683, 4-Biphenylacetonitrile, 95% - 1G 1g, H213, B1545,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.089g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.249g/mol
Monoisotopic Mass	193.089g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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