AG007C1Z

110882-60-5 | 3-Fluoro-5-nitrobenzonitrile

AG007C1Z

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CAS Number	110882-60-5
Catalog Number	AG007C1Z(AGN-PC-0KKMY9)
Chemical Name	3-Fluoro-5-nitrobenzonitrile
IUPAC Name	3-fluoro-5-nitrobenzonitrile
InChI	InChI=1S/C7H3FN2O2/c8-6-1-5(4-9)2-7(3-6)10(11)12/h1-3H
InChI Key	GPVDTRGEVKDJOI-UHFFFAOYSA-N
MDL Number	MFCD05864356
Molecular Formula	C7H3FN2O2
Molecular Weight	166.1093
SMILES	N#CC1=CC([N+]([O-])=O)=CC(F)=C1
Synonyms	3-fluoro-5-nitrobenzonitrile, 110882-60-5, 3-Fluoro-5-nitro-benzonitrile, Benzonitrile, 3-fluoro-5-nitro-, 3-Cyano-5-fluoronitrobenzene, AC1MBZIY, PubChem10113, SCHEMBL2303201, Benzonitrile,3-fluoro-5-nitro-, CTK8B5508, DTXSID70374629, GPVDTRGEVKDJOI-UHFFFAOYSA-N, 5-fluoro-3-nitrobenzenecarbonitrile, ACT00827, KS-00000NM7, ZINC2559542, ANW-48976, MFCD05864356, SBB087968, AKOS005259196, AN-2983, AS05859, CM13104, GS-3653, RP22862, WT82447, AC-26134, AJ-40282, AK-32841, BR-32841, CJ-09469, AB0034759, DB-014281, RT-019695, ST2410698, 4CH-015572, FT-0694487, X8963, S-3870, I01-7479, J-512534, C7H3FN2O2, ZINC02559542, CID2759049,

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

Certificate of Analysis

Lot Number