CP2
Summary
Name: | 1,2-DICHLORO-PROPANE |
Formula: | C3 H6 Cl2 |
Formal charge: | 0 |
Formula weight: | 112.986 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (2S)-1,2-dichloropropane |
OpenEye OEToolkits | 1.5.0 | (2S)-1,2-dichloropropane |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClCC(Cl)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@H](Cl)CCl |
SMILES | CACTVS | 3.341 | C[CH](Cl)CCl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CCl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CCl)Cl |
InChI | InChI | 1.03 | InChI=1S/C3H6Cl2/c1-3(5)2-4/h3H,2H2,1H3/t3-/m0/s1 |
InChIKey | InChI | 1.03 | KNKRKFALVUDBJE-VKHMYHEASA-N |