AG0031RZ

3096-81-9 | Benzonitrile, 4-phenoxy-

AG0031RZ

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CAS Number	3096-81-9
Catalog Number	AG0031RZ(AGN-PC-0JMPPR)
Chemical Name	Benzonitrile, 4-phenoxy-
IUPAC Name	4-phenoxybenzonitrile
InChI	InChI=1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H
InChI Key	UYHCIOZMFCLUDP-UHFFFAOYSA-N
MDL Number	MFCD00017346
Molecular Formula	C13H9NO
Molecular Weight	195.2167
SMILES	N#CC1=CC=C(OC2=CC=CC=C2)C=C1
Synonyms	4-Phenoxybenzonitrile, 3096-81-9, Benzonitrile, 4-phenoxy-, 4-Cyanodiphenyl Ether, MFCD00017346, 4-phenoxybenzenecarbonitrile, UYHCIOZMFCLUDP-UHFFFAOYSA-N, W-202280, ACMC-209hjp, AC1L3BFV, 4-Phenoxybenzonitrile, 96%, KSC497E6D, SCHEMBL378478, CTK3J7261, ZINC60938, DTXSID90184949, ZX-AT018554, 3287AB, ANW-27011, CL8218, OR0827, SBB073380, STL414856, AKOS000222228, AM83046, MCULE-7807404894, RTR-013233, KS-0000103Q, AJ-09912, AK-79376, ST009248, ZB002416, AB0061252, AX8099877, DB-047940, TR-013233, CS-0039303, FT-0634665, P1649, ST24043979, 2P-006, C-4908, EN300-134589, C-57729, C13H9NO, CID137821, ZINC00060938, 4-Phenoxybenzonitrile, 97% - 1G 1g,

Complexity	228
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.068g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	195.221g/mol
Monoisotopic Mass	195.068g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

Lot Number