1,2-Dichlorobenzene
-
CAS Number 95-50-1
-
Catalog Number io-2141
-
Classification Aryl Halides
-
Molecular Weight 147.0000
-
SMILES C1=CC=C(C(=C1)Cl)Cl
| Size | QTY | Notes | |
|---|---|---|---|
|
|
|
Add |
1,2-dichlorobenzene is a dichlorobenzene carrying chloro substituents at positions 1 and 2. It has a role as a hepatotoxic agent and a metabolite.
| 1 | 1,2-DICHLOROBENZENE |
| 2 | o-Dichlorobenzene |
| 3 | ortho-Dichlorobenzene |
| 4 | o-Dichlorbenzol |
| 5 | 2-Dichlorobenzene |
| Molecular Formula | C6H4Cl2 |
|---|---|
| Canonical SMILES | C1=CC=C(C(=C1)Cl)Cl |
| Isomeric SMILES | C1=CC=C(C(=C1)Cl)Cl |
| Molecular Weight | 147.0000 |
| InChIKey | RFFLAFLAYFXFSW-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H |
| XLogP | 3.4000 |
| ExactMass | 145.9690 |
| MonoisotopicMass | 145.9690 |
| TPSA | 0.0000 |
| Complexity | 62.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 0 |
| RotatableBondCount | 0 |
| HeavyAtomCount | 8 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 123140 |
| PatentFamilyCount | 47701 |
| LiteratureCount | 6061 |
