| CAS Number | 947162-29-0 |
| Catalog Number | AG01BFXT |
| Chemical Name | 4-Chloro-1,3-dihydro-2,1-benzoxaborol-1-ol |
| IUPAC Name | 4-chloro-1-hydroxy-3H-2,1-benzoxaborole |
| InChI | InChI=1S/C7H6BClO2/c9-7-3-1-2-6-5(7)4-11-8(6)10/h1-3,10H,4H2 |
| InChI Key | IHDXDFBZHOOZJY-UHFFFAOYSA-N |
| MDL Number | MFCD27977135 |
| Molecular Formula | C7H6BClO2 |
| Molecular Weight | 168.3853 |
| SMILES | OB1C2=CC=CC(Cl)=C2CO1 |
| Synonyms | 4-chloro-1,3-dihydro-2,1-benzoxaborol-1-ol,
947162-29-0,
ZINC238659416,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.383g/mol |
| Monoisotopic Mass | 168.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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