AG002KCY

20967-96-8 | Benzeneacetonitrile, 3-(phenylmethoxy)-

AG002KCY

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CAS Number	20967-96-8
Catalog Number	AG002KCY(AGN-PC-0JS949)
Chemical Name	Benzeneacetonitrile, 3-(phenylmethoxy)-
IUPAC Name	2-(3-phenylmethoxyphenyl)acetonitrile
InChI	InChI=1S/C15H13NO/c16-10-9-13-7-4-8-15(11-13)17-12-14-5-2-1-3-6-14/h1-8,11H,9,12H2
InChI Key	CKZFVIPFANUBDW-UHFFFAOYSA-N
MDL Number	MFCD00016396
Molecular Formula	C15H13NO
Molecular Weight	223.2698
SMILES	N#CCC1=CC(OCC2=CC=CC=C2)=CC=C1
Synonyms	3-Benzyloxyphenylacetonitrile, 20967-96-8, 2-(3-(benzyloxy)phenyl)acetonitrile, 3-Benzyloxybenzyl cyanide, MFCD00016396, 2-(3-phenylmethoxyphenyl)acetonitrile, CKZFVIPFANUBDW-UHFFFAOYSA-N, 2-[3-(benzyloxy)phenyl]acetonitrile, Benzeneacetonitrile, 3-(phenylmethoxy)-, 2-[3-(phenylmethoxy)phenyl]ethanenitrile, Maybridge3_000453, AC1LAT65, AC1Q4S1C, Oprea1_182015, ACMC-20a415, (3-benzyloxyphenyl)acetonitrile, 3-benzyloxy-phenyl acetonitrile, SCHEMBL1636426, (3-benzyloxyphenyl)-acetonitrile, CTK3J3543, ZINC92902, DTXSID60334156, (3-benzyloxy-phenyl)-acetonitrile, [3-(benzyloxy)phenyl]acetonitrile, 2-(3-benzyloxyphenyl)acetonitrile, HMS1432E13, ZX-AT017350, 0723AB, ANW-56151, OR4462, SBB071431, 2-(3-phenylmethoxyphenyl)ethanenitrile, AKOS015839474, AC-9169, AN-7303, Benzeneacetonitrile,3-(phenylmethoxy)-, FCH2711931, MCULE-7853078805, RTR-009853, VZ26380, ACM20967968, IDI1_011840, AC-13737, AJ-10895, AS-36366, BP-11262, CC-14302, SC-58063, ST092372, ZB003258, AX8015891, DB-022292, TR-009853, B4229, FT-0615107, A-8310, A815053, C-12539, I14-27002, 3-(Phenylmethoxy)-benzenemethanol, C15H13NO, CID519831, ZINC00092902, 1700-30-7,

Complexity	261
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.1g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	223.275g/mol
Monoisotopic Mass	223.1g/mol
Rotatable Bond Count	4
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
Hazard statements	H302+H312+H332-H315-H319
Packing Group
Precautionary statements	P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
UN Code	\N

Certificate of Analysis

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