AG006ISE

66684-57-9 | 1,2,5-Trifluoro-3-nitrobenzene

AG006ISE

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CAS Number	66684-57-9
Catalog Number	AG006ISE(AGN-PC-0KNWXI)
Chemical Name	1,2,5-Trifluoro-3-nitrobenzene
EC Number	266-446-5
IUPAC Name	1,2,5-trifluoro-3-nitrobenzene
InChI	InChI=1S/C6H2F3NO2/c7-3-1-4(8)6(9)5(2-3)10(11)12/h1-2H
InChI Key	MXOQPGDHOAMPJW-UHFFFAOYSA-N
MDL Number	MFCD00456804
Molecular Formula	C6H2F3NO2
Molecular Weight	177.0808
SMILES	FC1=C(C(=CC(=C1)F)[N+](=O)[O-])F
Synonyms	1,2,5-Trifluoro-3-nitrobenzene, 66684-57-9, 2,3,5-Trifluoronitrobenzene, EINECS 266-446-5, PubChem1070, AC1MI58H, SCHEMBL1999340, CTK5C5051, 1,2,5-trifluoro-3-nitro-benzene, ACT00421, BCP20968, KS-000025YJ, ANW-47001, Benzene,1,2,5-trifluoro-3-nitro-, MFCD00456804, ZINC21982378, AKOS006272789, AC-1505, ACN-049320, AS04467, CM12314, CS-W006827, GS-3824, QC-9024, 1,2,5-tris(fluoranyl)-3-nitro-benzene, AJ-79067, AK-79129, AN-14867, BC675796, CJ-17052, SC-93792, AB0026155, ST2414741, TX-010192, 4CH-014386, FT-0084627, FT-0654269, W7756, 684T579, A835522, I01-2422, C6H2F3NO2, 2,3,5-Trifluoro Nitrobenzene, C6-H2-F3-N-O2, CID3017703,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	177.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.082g/mol
Monoisotopic Mass	177.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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