CHM
Summary
Name: | 1,3-DICHLORO-PROPAN-2-ONE |
Synonyms: | Bis(chloromethyl) ketone |
Formula: | C3 H4 Cl2 O |
Formal charge: | 0 |
Formula weight: | 126.969 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.5.0 | 1,3-dichloropropan-2-one |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | CACTVS | 2.87 | ClCC(=O)CCl |
SMILES_CANONICAL | CACTVS | 2.87 | ClCC(=O)CCl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(C(=O)CCl)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | C(C(=O)CCl)Cl |
InChI | InChI | 1.03 | InChI=1S/C3H4Cl2O/c4-1-3(6)2-5/h1-2H2 |
InChIKey | InChI | 1.03 | SUNMBRGCANLOEG-UHFFFAOYSA-N |