AG005MFW

69411-67-2 | 2-Fluoro-4-nitro-1-(trifluoromethyl)benzene

AG005MFW

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CAS Number	69411-67-2
Catalog Number	AG005MFW(AGN-PC-0TVLC5)
Chemical Name	2-Fluoro-4-nitro-1-(trifluoromethyl)benzene
IUPAC Name	2-fluoro-4-nitro-1-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F4NO2/c8-6-3-4(12(13)14)1-2-5(6)7(9,10)11/h1-3H
InChI Key	XYKVQPNHGFUXBS-UHFFFAOYSA-N
MDL Number	MFCD07782060
Molecular Formula	C7H3F4NO2
Molecular Weight	209.0978
SMILES	FC(C1=CC=C([N+]([O-])=O)C=C1F)(F)F
Synonyms	2-fluoro-4-nitro-1-(trifluoromethyl)benzene, 69411-67-2, 2-Fluoro-4-nitrobenzotrifluoride, MFCD07782060, 2-fluoro-4-nitro-1-trifluoromethyl-benzene, Benzene, 2-fluoro-4-nitro-1-(trifluoromethyl)-, PubChem1652, SCHEMBL1010657, 2-fluoro,4-nitrobenzotrifluoride, CTK8C3836, DTXSID70565792, XYKVQPNHGFUXBS-UHFFFAOYSA-N, ACT00391, ANW-70640, ZINC19615515, AKOS015833753, AC-4140, AM62080, AS01754, DS-1646, PF10139, AJ-73991, AK-36126, AN-12263, BR-36126, CJ-16201, SC-06309, AB0026291, TC-030643, 4CH-006532, A9182, CS-0007570, FT-0080105, FT-0601368, FT-0656398, ST24032471, TL80074129, W7921, S-2299, I01-4941, I01-5883, C7H3F4NO2, ACN-055932,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	209.1g/mol
Monoisotopic Mass	209.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2810

Certificate of Analysis

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