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2106-41-4 | Benzene, 1,3-difluoro-2,4-dinitro-
CAS No: 2106-41-4 Catalog No: AG002KW8 MDL No:MFCD00798573
Product Description
Catalog Number:
AG002KW8
Chemical Name:
Benzene, 1,3-difluoro-2,4-dinitro-
CAS Number:
2106-41-4
Molecular Formula:
C6H2F2N2O4
Molecular Weight:
204.0879
MDL Number:
MFCD00798573
IUPAC Name:
1,3-difluoro-2,4-dinitrobenzene
InChI:
InChI=1S/C6H2F2N2O4/c7-3-1-2-4(9(11)12)5(8)6(3)10(13)14/h1-2H
InChI Key:
FMVDUSBGCFWYGL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1F)[N+](=O)[O-])F
NSC Number:
83551
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.998g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.089g/mol
Monoisotopic Mass:
203.998g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Effect of Sophora flavescens Aiton extract on degranulation of mast cells and contact dermatitis induced by dinitrofluorobenzene in mice. | Journal of ethnopharmacology 20120626 |
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