AG000LBN

123973-36-4 | Benzene, 1,3-difluoro-4-nitro-2-(trifluoromethyl)-

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CAS Number	123973-36-4
Catalog Number	AG000LBN(AGN-PC-00PY14)
Chemical Name	Benzene, 1,3-difluoro-4-nitro-2-(trifluoromethyl)-
IUPAC Name	1,3-difluoro-4-nitro-2-(trifluoromethyl)benzene
InChI	InChI=1S/C7H2F5NO2/c8-3-1-2-4(13(14)15)6(9)5(3)7(10,11)12/h1-2H
InChI Key	SEVUDOJHWVTRRK-UHFFFAOYSA-N
MDL Number	MFCD12924861
Molecular Formula	C7H2F5NO2
Molecular Weight	227.0883
SMILES	[O-][N+](=O)c1ccc(c(c1F)C(F)(F)F)F
Synonyms	1,3-DIFLUORO-4-NITRO-2-(TRIFLUOROMETHYL)BENZENE, 123973-36-4, 2,6-difluoro-3-nitrobenzotrifluoride, SCHEMBL9748208, CTK8C4589, KS-00000HWR, DTXSID30575751, WT401, ZX-AP002446, 4540AA, ANW-72415, MFCD12924861, TD1266, ZINC34610472, AKOS016007636, CS-W007033, PC51179, AC-28711, AJ-89717, AK-40485, AT-23801, DS-13574, AX8161757, DB-010019, TC-161160, 4CH-021864, FT-0719912, ST24036799, 1,3-difluoro-2-(trifluoromethyl)-4-nitrobenzene, Benzene, 1,3-difluoro-4-nitro-2-(trifluoromethyl)-, C7H2F5NO2,

Complexity	251
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.001g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.09g/mol
Monoisotopic Mass	227.001g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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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