AG00372K

61324-97-8 | 2-Fluoro-3-nitrobenzotrifluoride

AG00372K

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CAS Number	61324-97-8
Catalog Number	AG00372K(AGN-PC-041M76)
Chemical Name	2-Fluoro-3-nitrobenzotrifluoride
IUPAC Name	2-fluoro-1-nitro-3-(trifluoromethyl)benzene
InChI	InChI=1S/C7H3F4NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H
InChI Key	PGKWPKDZNHZBQK-UHFFFAOYSA-N
MDL Number	MFCD08532487
Molecular Formula	C7H3F4NO2
Molecular Weight	209.0978
SMILES	FC(F)(F)C1=CC=CC([N+]([O-])=O)=C1F
Synonyms	2-Fluoro-3-nitrobenzotrifluoride, 61324-97-8, 2-fluoro-1-nitro-3-(trifluoromethyl)benzene, Benzene, 2-fluoro-1-nitro-3-(trifluoromethyl)-, 2-Fluoro-3-(trifluoromethyl)nitrobenzene, MFCD08532487, AK-39879, 2-FLUORO-3-TRIFLUOROMETHYLNITROBENZENE, SCHEMBL6515, CTK2E2380, KS-00000EOX, DTXSID40633119, PGKWPKDZNHZBQK-UHFFFAOYSA-N, ZX-AP003196, CL8234, PC5265, SBB094144, ZINC16159326, 2-FLUORO-3-NITROBENZOTRIFLUORI, AKOS015920026, AM62307, FCH1327083, QC-7576, AJ-68650, BR-39879, DS-14505, SY047604, AB0030952, AX8208977, TR-037277, 4CH-010120, FT-0720194, ST24027999, X3234, MFCD08532487 (98%), S-4179, C7H3F4NO2, ACN-055931, SC-48981,

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-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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