AG0000C9

1000339-52-5 | 3-Fluoro-2-nitrobenzonitrile

AG0000C9

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CAS Number	1000339-52-5
Catalog Number	AG0000C9(AGN-PC-058CGC)
Chemical Name	3-Fluoro-2-nitrobenzonitrile
IUPAC Name	3-fluoro-2-nitrobenzonitrile
InChI	InChI=1S/C7H3FN2O2/c8-6-3-1-2-5(4-9)7(6)10(11)12/h1-3H
InChI Key	QKPJBJJXAQKHSR-UHFFFAOYSA-N
MDL Number	MFCD09864664
Molecular Formula	C7H3FN2O2
Molecular Weight	166.1093
SMILES	FC=1C(=C(C#N)C=CC1)[N+](=O)[O-]
Synonyms	3-Fluoro-2-nitrobenzonitrile, 1000339-52-5, 2-Cyano-6-fluoronitrobenzene, AK-39829, SCHEMBL2875344, CTK3J8412, KS-00000ODG, DTXSID00650423, QKPJBJJXAQKHSR-UHFFFAOYSA-N, 2-Nitro-3-fluorobenzenecarbonitrile, 3-fluoro-2-nitrobenzenecarbonitrile, ZX-AP002539, ANW-51432, MFCD09864664, PC1402, SBB087967, ZINC16158460, AKOS015853113, ACN-052126, AS05858, CM13102, FCH1146501, GS-4380, BENZONITRILE, 3-FLUORO-2-NITRO-, AJ-68531, BR-39829, CJ-15413, SC-99650, AB0034319, AX8208698, TR-033738, 4CH-010081, CS-0028778, ST24028514, X8454, S-6351, C7H3FN2O2, 3013-27-2,

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	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3439

Certificate of Analysis

Lot Number