AG001ZI2

17417-09-3 | Benzonitrile, 2-fluoro-5-nitro-

AG001ZI2

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CAS Number	17417-09-3
Catalog Number	AG001ZI2(AGN-PC-0JS8V3)
Chemical Name	Benzonitrile, 2-fluoro-5-nitro-
IUPAC Name	2-fluoro-5-nitrobenzonitrile
InChI	InChI=1S/C7H3FN2O2/c8-7-2-1-6(10(11)12)3-5(7)4-9/h1-3H
InChI Key	YLACBMHBZVYOAP-UHFFFAOYSA-N
MDL Number	MFCD00042299
Molecular Formula	C7H3FN2O2
Molecular Weight	166.1093
SMILES	FC1=C(C=C(C=C1)N(=O)=O)C#N
Synonyms	2-Fluoro-5-nitrobenzonitrile, 17417-09-3, Benzonitrile, 2-fluoro-5-nitro-, 2-fluoro-5-nitro-benzonitrile, 3-Cyano-4-fluoronitrobenzene, YLACBMHBZVYOAP-UHFFFAOYSA-N, 2-fluoro-5-nitrobenzenecarbonitrile, MFCD00042299, 2-FLUORO-5-NITROBENZENENITRILE, 3-CYANO-4-FLUORO-1-NITROBENZENE, PubChem4792, AC1LASB8, Intermediates-ZCF02297, ACMC-209e7w, 5-nitro-2-fluorobenzonitrile, KSC497I0L, SCHEMBL594390, 2-fluoro-5-nitro benzonitrile, 5-nitro-2-fluoro-benzonitrile, Jsp003563, CTK3J7405, DTXSID20334011, BUTTPARK 33\08-18, ZINC167117, ACN-S003893, ACT12398, CS-D0997, KS-00000ED7, 2-Fluoro-5-nitrobenzonitrile, 97%, ANW-22698, BBL009984, CF-695, SBB064336, STK801378, WT1789, AKOS000266568, AB01914, AC-4088, AM61376, AN-6192, AS01688, CM13100, MCULE-2378392982, RP22860, RTC-062368, TF10139, TRA0075539, VZ24616, AJ-16592, AK-26976, AS-15010, BR-26976, CJ-02360, N624, SC-46044, ZB008745, AB0015924, DB-030853, TC-062368, 17417-09-3 2-fluoro-5-nitrobenzonitrile, A1547, F0550, FT-0081729, FT-0612369, ST24032476, ST50406879, TL80074087, M-2920, 126901-EP2295412A1, 126901-EP2295413A1, 127185-EP2295412A1, 417F093, I01-4649, J-509464, C7H3FN2O2, CID519417, ZINC00167117, 2-Fluoro-5-nitrobenzonitrile, 97% - 25G 25g,

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	\N

Certificate of Analysis

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