AG003AD6

55805-10-2 | 4-(DifluoroMethyl)benzonitrile

AG003AD6

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CAS Number	55805-10-2
Catalog Number	AG003AD6(AGN-PC-003NIV)
Chemical Name	4-(DifluoroMethyl)benzonitrile
IUPAC Name	4-(difluoromethyl)benzonitrile
InChI	InChI=1S/C8H5F2N/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8H
InChI Key	UCOIWMARNIAWRV-UHFFFAOYSA-N
MDL Number	MFCD23843788
Molecular Formula	C8H5F2N
Molecular Weight	153.1288
SMILES	FC(C1=CC=C(C#N)C=C1)F
Synonyms	4-(Difluoromethyl)benzonitrile, 55805-10-2, Benzonitrile, 4-(difluoromethyl)-, SCHEMBL5322427, 4-(Difluoromethyl)benzenecarbonitrile, MFCD23843788, ZINC34462325, AKOS016011561, VZ35431, AJ-88713, PS-11724, CS-0060225, FT-0656121, 4-difluoromethoxybenzonitrile, |A,|A-Difluoro-p-tolunitrile, 4-(difluoromethoxy)benzonitrile,

Complexity	162
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	153.039g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	153.132g/mol
Monoisotopic Mass	153.039g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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