AG003JV3

51632-29-2 | 3-Phenoxyphenylacetonitrile

AG003JV3

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CAS Number	51632-29-2
Catalog Number	AG003JV3(AGN-PC-0JKRA1)
Chemical Name	3-Phenoxyphenylacetonitrile
IUPAC Name	2-(3-phenoxyphenyl)acetonitrile
InChI	InChI=1S/C14H11NO/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9H2
InChI Key	DKGMALJGFUHPGB-UHFFFAOYSA-N
MDL Number	MFCD00016393
Molecular Formula	C14H11NO
Molecular Weight	209.2432
SMILES	N#CCC1=CC=CC(OC2=CC=CC=C2)=C1
Synonyms	3-Phenoxyphenylacetonitrile, 2-(3-phenoxyphenyl)acetonitrile, 51632-29-2, 3-Phenoxybenzyl cyanide, m-Phenoxybenzyl cyanide, 3-Phenoxybenzeneacetonitrile, (3-Phenoxyphenyl)acetonitrile, Benzeneacetonitrile, 3-phenoxy-, ACETONITRILE, (m-PHENOXYPHENYL)-, (m-Phenoxyphenyl)acetonitrile, BRN 2106883, DKGMALJGFUHPGB-UHFFFAOYSA-N, 2-(3-phenoxyphenyl)ethanenitrile, m-phenoxy-benzyl cyanide, 3-phenoxyphenylacetonitril, m-phenoxyphenylacetonitrile, ACMC-1ARU7, 3-phenoxyphenylethanenitrile, AC1Q4S0X, SCHEMBL191669, CTK3J3210, DTXSID20199581, 2-(3-Phenoxyphenyl);acetonitrile, 3-Phenoxyphenylacetonitrile, 99%, ZINC155315, AC1L2303, ACT03824, ZX-AT025204, 7209AB, CP-595, MFCD00016393, SBB055163, AKOS015855080, MCULE-4670724805, OR24645, RTR-018392, KS-0000194O, AJ-13527, AN-41183, BP-12670, LS-13302, TS-00413, ZB006015, AX8088818, TR-018392, FT-0616318, ST50319600, 632P292, C-52741, I14-7959, C14H11NO, C14-H11-N-O, CID40075, A7610, Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate,

Complexity	249
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.084g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.248g/mol
Monoisotopic Mass	209.084g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3334

Certificate of Analysis

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