[Synonyms]
Dinitrochlorobenzene
CDNB
DNCB
Dinitrochlorobenzol
1-chloro-2,4-dinitrobenzene
Chlorodinitrobenzene
2,4-Dinitrochlorobenzene
Caswell No. 389C
Benzene, 1-chloro-2,4-dinitro-
2,4-Dinitrophenyl chloride
[Structure]
[ Properties Computed from Structure]
[ Descriptors Computed from Structure]
IUPAC Name: 1-chloro-2,4-dinitrobenzene
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
InChI: InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
Dinitrochlorobenzene
CDNB
DNCB
Dinitrochlorobenzol
1-chloro-2,4-dinitrobenzene
Chlorodinitrobenzene
2,4-Dinitrochlorobenzene
Caswell No. 389C
Benzene, 1-chloro-2,4-dinitro-
2,4-Dinitrophenyl chloride
[Structure]
[ Properties Computed from Structure]
| Molecular Weight | 202.55202 [g/mol] |
| Molecular Formula | C6H3ClN2O4 |
| XLogP | 2.4 |
| H-Bond Donor | 0 |
| H-Bond Acceptor | 4 |
| Rotatable Bond Count | 0 |
| Exact Mass | 201.978134 |
| MonoIsotopic Mass | 201.978134 |
| Topological Polar Surface Area | 86.3 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 224 |
| Isotope Atom Count | 0 |
| Defined Atom StereoCenter Count | 0 |
| Undefined Atom StereoCenter Count | 0 |
| Defined Bond StereoCenter Count | 0 |
| Undefined Bond StereoCenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
[ Descriptors Computed from Structure]
IUPAC Name: 1-chloro-2,4-dinitrobenzene
Canonical SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
InChI: InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
