PHQ
Summary
Name: | benzyl chlorocarbonate |
Formula: | C8 H7 Cl O2 |
Formal charge: | 0 |
Formula weight: | 170.593 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | benzyl carbonochloridate |
OpenEye OEToolkits | 1.7.0 | phenylmethyl carbonochloridate |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | ClC(=O)OCc1ccccc1 |
SMILES_CANONICAL | CACTVS | 3.370 | ClC(=O)OCc1ccccc1 |
SMILES | CACTVS | 3.370 | ClC(=O)OCc1ccccc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC(=O)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc(cc1)COC(=O)Cl |
InChI | InChI | 1.03 | InChI=1S/C8H7ClO2/c9-8(10)11-6-7-4-2-1-3-5-7/h1-5H,6H2 |
InChIKey | InChI | 1.03 | HSDAJNMJOMSNEV-UHFFFAOYSA-N |