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Home > Fluorides > 123973-36-4
123973-36-4 | Benzene, 1,3-difluoro-4-nitro-2-(trifluoromethyl)-
CAS No: 123973-36-4 Catalog No: AG000LBN MDL No:MFCD12924861
Product Description
Catalog Number:
AG000LBN
Chemical Name:
Benzene, 1,3-difluoro-4-nitro-2-(trifluoromethyl)-
CAS Number:
123973-36-4
Molecular Formula:
C7H2F5NO2
Molecular Weight:
227.0883
MDL Number:
MFCD12924861
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
SMILES:
[O-][N+](=O)c1ccc(c(c1F)C(F)(F)F)F
Properties
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
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