AG003H5J

96994-73-9 | 2-(Dimethylamino)-6-fluorobenzonitrile

AG003H5J

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CAS Number	96994-73-9
Catalog Number	AG003H5J(AGN-PC-0KK8AF)
Chemical Name	2-(Dimethylamino)-6-fluorobenzonitrile
IUPAC Name	2-(dimethylamino)-6-fluorobenzonitrile
InChI	InChI=1S/C9H9FN2/c1-12(2)9-5-3-4-8(10)7(9)6-11/h3-5H,1-2H3
InChI Key	WWNKVUULRIWDJZ-UHFFFAOYSA-N
MDL Number	MFCD00052221
Molecular Formula	C9H9FN2
Molecular Weight	164.1796
SMILES	C1(C(=CC=CC=1N(C)C)F)C#N
Synonyms	96994-73-9, 2-Dimethylamino-6-fluorobenzonitrile, 2-(dimethylamino)-6-fluorobenzonitrile, MFCD00052221, 2-(dimethylamino)-6-fluorobenzenecarbonitrile, ACMC-20anx3, AC1MC6S9, SCHEMBL2076283, CTK5H9045, KS-00003KAO, DTXSID90371837, ZINC156400, 4546AF, SBB087792, 2-(Dimethylamino)-6-fluorobenzonitril, AKOS005256483, FS-1075, MCULE-6199639522, VZ23283, 2-(dimethylamino)-6-fluoro-benzonitrile, AJ-13795, SC-58315, ZB006325, 2-(n,n-dimethylamino)-6-fluorobenzonitrile, DB-057656, TR-030195, FT-0612176, ST50407120, Y-9611, 2-(dimethylamino)-6-fluoranyl-benzenecarbonitrile, A845668, 2-(Dimethylamino)-6-fluorobenzonitrile, AldrichCPR, I01-14440, C9H9FN2, ZINC00156400, CID2737104,

Complexity	194
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	164.075g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.183g/mol
Monoisotopic Mass	164.075g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P264-P270-P271-P302+P352-P305+P351+P338-P330-P362-P403+P233-P501
UN Code	UN 3276

Certificate of Analysis

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