AG003JV0

50789-45-2 | 3-Phenoxybenzonitrile

AG003JV0

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CAS Number	50789-45-2
Catalog Number	AG003JV0(AGN-PC-0KTZQ3)
Chemical Name	3-Phenoxybenzonitrile
IUPAC Name	3-phenoxybenzonitrile
InChI	InChI=1S/C13H9NO/c14-10-11-5-4-8-13(9-11)15-12-6-2-1-3-7-12/h1-9H
InChI Key	IBUQEIIFTPFARK-UHFFFAOYSA-N
MDL Number	MFCD05669318
Molecular Formula	C13H9NO
Molecular Weight	195.2167
SMILES	N#CC1=CC=CC(OC2=CC=CC=C2)=C1
Synonyms	3-phenoxybenzonitrile, 50789-45-2, Benzonitrile, 3-phenoxy-, 3-phenoxy-benzonitrile, 3-phenoxybenzenecarbonitrile, EN300-59779, 3-Cyanodiphenyl ether, AC1MPOJG, AC1Q4R2M, SCHEMBL7186441, CTK1G9102, KS-00000BJQ, DTXSID60392256, IBUQEIIFTPFARK-UHFFFAOYSA-N, ZINC4105333, ZX-AT010221, 5922AJ, MFCD05669318, OR0826, SBB091875, AKOS005108930, MCULE-9664885971, MS-0832, TRA0052214, ACM50789452, AC-23561, AJ-48077, CJ-11328, SC-19770, SY013585, AB0061413, AX8088805, DB-071253, TC-307468, FT-0692253, ST24042407, Z-4222, MFCD05669318 (97+%), A828299, I14-93316, Z57900344, C13H9NO, ZINC04105333, ACN-050411, CID3414161, 33332-25-1,

Complexity	236
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	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3276

Certificate of Analysis

Lot Number