FT2
Summary
Name: | 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol |
Formula: | C13 H9 Cl3 O2 |
Formal charge: | 0 |
Formula weight: | 303.568 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | Oc1cc(CCl)ccc1Oc2ccc(Cl)cc2Cl |
SMILES | CACTVS | 3.352 | Oc1cc(CCl)ccc1Oc2ccc(Cl)cc2Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl |
InChI | InChI | 1.03 | InChI=1S/C13H9Cl3O2/c14-7-8-1-3-13(11(17)5-8)18-12-4-2-9(15)6-10(12)16/h1-6,17H,7H2 |
InChIKey | InChI | 1.03 | XVCALTYAVXDHNO-UHFFFAOYSA-N |