269
Summary
Name: | (1R)-3-chloro-1-phenylpropan-1-ol |
Formula: | C9 H11 Cl O |
Formal charge: | 0 |
Formula weight: | 170.636 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | (1R)-3-chloro-1-phenylpropan-1-ol |
OpenEye OEToolkits | 1.5.0 | (1R)-3-chloro-1-phenyl-propan-1-ol |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClCCC(O)c1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.341 | O[C@H](CCCl)c1ccccc1 |
SMILES | CACTVS | 3.341 | O[CH](CCCl)c1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[C@@H](CCCl)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C(CCCl)O |
InChI | InChI | 1.03 | InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2/t9-/m1/s1 |
InChIKey | InChI | 1.03 | JZFUHAGLMZWKTF-SECBINFHSA-N |