AG008KQL

799814-30-5 | 2-(Difluoromethyl)benzonitrile

AG008KQL

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CAS Number	799814-30-5
Catalog Number	AG008KQL(AGN-PC-0BT2XX)
Chemical Name	2-(Difluoromethyl)benzonitrile
IUPAC Name	2-(difluoromethyl)benzonitrile
InChI	InChI=1S/C8H5F2N/c9-8(10)7-4-2-1-3-6(7)5-11/h1-4,8H
InChI Key	VZLPLYDPKXQAIA-UHFFFAOYSA-N
MDL Number	MFCD21606585
Molecular Formula	C8H5F2N
Molecular Weight	153.1288
SMILES	C1=CC=C(C(=C1)C#N)C(F)F
Synonyms	2-(Difluoromethyl)Benzonitrile, 799814-30-5, 2-Difluoromethylbenzonitrile, Benzonitrile, 2-(difluoromethyl)-, KSC493G5P, SCHEMBL3974692, CTK3J3357, DTXSID50726304, KS-000011CP, CL8163, MFCD21606585, ZINC83406735, AKOS024262535, FCH1565999, PC48525, AK158544, AS-45994, CJ-22117, AB0061442, AJ-125946, AX8267139, RT-001430, CS-0037738, ST24039638, J3.535.178G, X-3609,

Complexity	170
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	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H227-H315-H412
Packing Group	Ⅲ
Precautionary statements	P210-P273-P280
UN Code	UN 3276

Certificate of Analysis

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