AG00DG7L

519059-09-7 | 3-Cyano-4-fluorobenzyl cyanide

AG00DG7L

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CAS Number	519059-09-7
Catalog Number	AG00DG7L(AGN-PC-0KKVSQ)
Chemical Name	3-Cyano-4-fluorobenzyl cyanide
IUPAC Name	5-(cyanomethyl)-2-fluorobenzonitrile
InChI	InChI=1S/C9H5FN2/c10-9-2-1-7(3-4-11)5-8(9)6-12/h1-2,5H,3H2
InChI Key	KRNCZBBJZSYHMX-UHFFFAOYSA-N
MDL Number	MFCD03094342
Molecular Formula	C9H5FN2
Molecular Weight	160.1478
SMILES	N#CC1=CC(CC#N)=CC=C1F
Synonyms	519059-09-7, 3-Cyano-4-fluorobenzylcyanide, 5-(cyanomethyl)-2-fluorobenzonitrile, 3-CYANO-4-FLUOROPHENYLACETONITRILE, 3-cyano-4-fluorobenzyl cyanide, Benzeneacetonitrile, 3-cyano-4-fluoro- (9CI), AC1MCNOO, SCHEMBL3075770, CTK4J5097, DTXSID90378785, KRNCZBBJZSYHMX-UHFFFAOYSA-N, 3-Cyano-4-fluorobenzeneacetonitrile, KS-00000L0N, ZINC2243244, ANW-50144, BBL103507, CL8775, MFCD03094342, STL557317, AKOS006228282, 5-(Cyanomethyl)-2-fluoro-benzonitrile, CS-W022260, FS-3152, AJ-34266, AK-44884, BR-44884, CJ-08008, AB0025248, ST2418578, TC-062355, TC-138889, 4CH-013935, FT-0704231, W6675, BENZENEACETONITRILE, 3-CYANO-4-FLUORO-, S-4775, I01-8936, C9H5FN2, ZINC02243244, Benzeneacetonitrile,3-cyano-4-fluoro-, CID2773936,

Complexity	244
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	160.044g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	160.151g/mol
Monoisotopic Mass	160.044g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number