AG00034S

1009-35-4 | Benzonitrile, 4-fluoro-3-nitro-

AG00034S

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CAS Number	1009-35-4
Catalog Number	AG00034S(AGN-PC-0KKWB9)
Chemical Name	Benzonitrile, 4-fluoro-3-nitro-
IUPAC Name	4-fluoro-3-nitrobenzonitrile
InChI	InChI=1S/C7H3FN2O2/c8-6-2-1-5(4-9)3-7(6)10(11)12/h1-3H
InChI Key	LKOWKPGBAZVHOF-UHFFFAOYSA-N
MDL Number	MFCD01632197
Molecular Formula	C7H3FN2O2
Molecular Weight	166.1093
SMILES	FC1=C(C=C(C#N)C=C1)[N+](=O)[O-]
Synonyms	4-fluoro-3-nitrobenzonitrile, 1009-35-4, 3-nitro-4-fluorobenzonitrile, 4-fluoro-3-nitro-benzonitrile, 5-Cyano-2-fluoronitrobenzene, 4-CYANO-1-FLUORO-2-NITROBENZENE, BENZONITRILE, 4-FLUORO-3-NITRO-, 4-fluoro-3-nitrobenzenecarbonitrile, MFCD01632197, 5-CYANO-5-FLUORO-1-NITROBENZENE, PubChem4796, AC1MCORO, ACMC-1C2VD, 4-fluro-3-nitrobenzonitrile, KSC494G1F, SCHEMBL352298, 4-fluoro-3-nitro benzonitrile, CTK3J4312, KS-00000EEN, DTXSID10379153, LKOWKPGBAZVHOF-UHFFFAOYSA-N, ACN-S003955, ACT00367, BUTTPARK 182\04-51, ZINC2382636, ANW-14397, BBL103140, SBB064893, STL556950, WT1785, AKOS005063930, AB09453, AM62487, AS05860, CM13106, CS-W008088, LS10256, RP22865, RTR-000274, TF10109, TRA-0202988, 4-Fluoro-3-nitrobenzonitrile, AldrichCPR, AC-24723, AJ-34890, AK-31131, AN-16368, BC678463, BR-31131, CJ-08163, DS-11706, SC-20526, SY006702, 1009-35-4 4-fluoro-3-nitrobenzonitrile, AB0004524, AB1008201, DB-010070, ST2418363, TR-000274, F1040, FT-0647690, X8535, MFCD01632197 (98%), A-4093, 009F354, 3S210895, I01-6245, J-515381, F0001-0050, 5-Cyano-5-fluoro-1-nitrobenzene; 4-Cyano-1-fluoro-2-nitrobenzene, C7H3FN2O2, 2-Bromopyridine-4-carboxaldehyde, ZINC02382636, CID2774654, A1468, 4-Fluoro-3-nitrobenzonitrile, 97% - 1G 1g,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	166.018g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	166.111g/mol
Monoisotopic Mass	166.018g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅱ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number