AG0014RK

1214328-20-7 | Benzonitrile, 2-fluoro-3-nitro-

AG0014RK

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CAS Number	1214328-20-7
Catalog Number	AG0014RK(AGN-PC-040S4Z)
Chemical Name	Benzonitrile, 2-fluoro-3-nitro-
IUPAC Name	2-fluoro-3-nitrobenzonitrile
InChI	InChI=1S/C7H3FN2O2/c8-7-5(4-9)2-1-3-6(7)10(11)12/h1-3H
InChI Key	LHCVWZUYSBZIKE-UHFFFAOYSA-N
MDL Number	MFCD11849938
Molecular Formula	C7H3FN2O2
Molecular Weight	166.1093
SMILES	N#CC1=CC=CC([N+]([O-])=O)=C1F
Synonyms	2-FLUORO-3-NITROBENZONITRILE, 1214328-20-7, AK-37336, SCHEMBL2875340, CTK7C8638, KS-00000HTE, DTXSID70632615, Benzonitrile, 2-fluoro-3-nitro-, LHCVWZUYSBZIKE-UHFFFAOYSA-N, 3-CYANO-2-FLUORONITROBENZENE, ANW-73644, MFCD11849938, ZINC85225034, AKOS016007789, AS05856, CM13098, CS-W005189, FCH1144571, MP-0323, PC53131, AC-28664, CJ-22328, DS-13262, AJ-127686, AX8161161, TC-162389, 4CH-000242, ST24027998, Z3987, C7H3FN2O2, ACN-050193,

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-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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