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Home > Fluorides > 1214335-98-4
1214335-98-4 | Benzene, 1-fluoro-2-nitro-3-(trifluoromethyl)-
CAS No: 1214335-98-4 Catalog No: AG0014U0 MDL No:MFCD12032180
Product Description
Catalog Number:
AG0014U0
Chemical Name:
Benzene, 1-fluoro-2-nitro-3-(trifluoromethyl)-
CAS Number:
1214335-98-4
Molecular Formula:
C7H3F4NO2
Molecular Weight:
209.0978
MDL Number:
MFCD12032180
IUPAC Name:
1-fluoro-2-nitro-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C7H3F4NO2/c8-5-3-1-2-4(7(9,10)11)6(5)12(13)14/h1-3H
InChI Key:
GZNQDXJGTLXDGN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(F)cccc1C(F)(F)F
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:
2.7
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