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364-74-9 | 2,5-Difluoronitrobenzene
CAS No: 364-74-9 Catalog No: AG003DOC MDL No:MFCD00007054
Product Description
Catalog Number:
AG003DOC
Chemical Name:
2,5-Difluoronitrobenzene
CAS Number:
364-74-9
Molecular Formula:
C6H3F2NO2
Molecular Weight:
159.0903
MDL Number:
MFCD00007054
IUPAC Name:
1,4-difluoro-2-nitrobenzene
InChI:
InChI=1S/C6H3F2NO2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H
InChI Key:
XNJAYQHWXYJBBD-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)[N+](=O)[O-])F
EC Number:
206-663-4
NSC Number:
528657
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.092g/mol
Monoisotopic Mass:
159.013g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Literature
| Title | Journal |
|---|---|
| A combined experimental and computational thermodynamic study of difluoronitrobenzene isomers. | The journal of physical chemistry. B 20101014 |
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