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393-09-9 | 4-Fluoro-1-nitro-2-(trifluoromethyl)benzene
CAS No: 393-09-9 Catalog No: AG003HS9 MDL No:MFCD00039741
Product Description
Catalog Number:
AG003HS9
Chemical Name:
4-Fluoro-1-nitro-2-(trifluoromethyl)benzene
CAS Number:
393-09-9
Molecular Formula:
C7H3F4NO2
Molecular Weight:
209.0978
MDL Number:
MFCD00039741
IUPAC Name:
4-fluoro-1-nitro-2-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3F4NO2/c8-4-1-2-6(12(13)14)5(3-4)7(9,10)11/h1-3H
InChI Key:
WMQOSURXFLBTPC-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-]
NSC Number:
10304
Properties
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:
3.3
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