ZA2
Summary
Name: | [(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON |
Synonyms: | 2-CHLOROBENZAMIDOMETHYLBORONIC ACID |
Formula: | C8 H10 B Cl N O4 |
Formal charge: | -1 |
Formula weight: | 230.433 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 1.6.1 | [(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES_CANONICAL | CACTVS | 3.352 | O[B-](O)(O)CNC(=O)c1ccccc1Cl |
SMILES | CACTVS | 3.352 | O[B-](O)(O)CNC(=O)c1ccccc1Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | [B-](CNC(=O)c1ccccc1Cl)(O)(O)O |
SMILES | OpenEye OEToolkits | 1.6.1 | [B-](CNC(=O)c1ccccc1Cl)(O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1 |
InChIKey | InChI | 1.03 | QHCGFAIMVLWXJG-UHFFFAOYSA-N |