AG003FSA

67152-20-9 | 2,4-Difluoro-5-nitrobenzonitrile

AG003FSA

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CAS Number	67152-20-9
Catalog Number	AG003FSA(AGN-PC-00GTIR)
Chemical Name	2,4-Difluoro-5-nitrobenzonitrile
IUPAC Name	2,4-difluoro-5-nitrobenzonitrile
InChI	InChI=1S/C7H2F2N2O2/c8-5-2-6(9)7(11(12)13)1-4(5)3-10/h1-2H
InChI Key	MREZSSGRNNMUKZ-UHFFFAOYSA-N
MDL Number	MFCD07772030
Molecular Formula	C7H2F2N2O2
Molecular Weight	184.0998
SMILES	[O-][N+](=O)C1=CC(C#N)=C(F)C=C1F
Synonyms	2,4-Difluoro-5-nitrobenzonitrile, 67152-20-9, Benzonitrile, 2,4-difluoro-5-nitro-, 2,4-difluoro-5-nitrobenzenecarbonitrile, 2,4-Difluoro-5-ntirobenzonitrile, SYNQUEST 4655-3-45, PubChem4770, SCHEMBL57107, KSC495K4R, CTK3J5548, DTXSID60473731, MREZSSGRNNMUKZ-UHFFFAOYSA-N, ACT13037, KS-00000EJ2, ZINC3880146, ANW-49421, MFCD07772030, SBB064904, AKOS015890238, AM61608, AS05839, CM13054, CS-W003416, DS-2279, LS10267, RP24442, TF10108, TRA0041912, AJ-46527, AK-36063, CJ-11048, SY023675, AB0026172, DB-030788, RT-002588, ST2409114, 4CH-014824, A1770, FT-0654276, W7774, Z-3484, MFCD07772030 (97+%), I01-6266, J-507205, C7H2F2N2O2, 2,4-difluoro-5-nitro-benzonitrile, CID11819715,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.008g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	184.102g/mol
Monoisotopic Mass	184.008g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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