AG000KTG

123572-62-3 | Benzene, 4-fluoro-2-nitro-1-(trifluoromethoxy)-

AG000KTG

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CAS Number	123572-62-3
Catalog Number	AG000KTG(AGN-PC-001FBY)
Chemical Name	Benzene, 4-fluoro-2-nitro-1-(trifluoromethoxy)-
IUPAC Name	4-fluoro-2-nitro-1-(trifluoromethoxy)benzene
InChI	InChI=1S/C7H3F4NO3/c8-4-1-2-6(15-7(9,10)11)5(3-4)12(13)14/h1-3H
InChI Key	PGISCPIWSHGJJJ-UHFFFAOYSA-N
MDL Number	MFCD12025954
Molecular Formula	C7H3F4NO3
Molecular Weight	225.0972
SMILES	FC(F)(F)OC1=CC=C(F)C=C1[N+]([O-])=O
Synonyms	4-FLUORO-2-NITRO-1-(TRIFLUOROMETHOXY)BENZENE, 123572-62-3, 5-Fluoro-2-(trifluoromethoxy)nitrobenzene, Benzene, 4-fluoro-2-nitro-1-(trifluoromethoxy)-, MFCD12025954, ACMC-209ap8, SCHEMBL1275605, CTK4B3552, DTXSID20560292, PGISCPIWSHGJJJ-UHFFFAOYSA-N, KS-00000EO3, ANW-18138, ZINC34295771, AKOS015853572, AS05725, CM12278, RTR-003700, TRA0026460, AJ-87856, CJ-18283, SY022875, AX8244163, TR-003700, 4-fluoro-2-nitro-1-trifluoromethoxy-benzene, CS-0059210, Z8720, B-2440, MFCD12025954 (97+%), 3-NITRO-4-(TRIFLUOROMETHOXY)FLUOROBENZENE, I01-11706, C7H3F4NO3,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.005g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	225.099g/mol
Monoisotopic Mass	225.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

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

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