62Y
Summary
| Name: | 3-bromophenyl hydrogen (S)-phenylphosphonate |
| Formula: | C12 H10 Br O3 P |
| Formal charge: | 0 |
| Formula weight: | 313.084 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-bromophenyl hydrogen (S)-phenylphosphonate |
| OpenEye OEToolkits | 1.7.6 | (3-bromanylphenoxy)-phenyl-phosphinic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Brc2cc(OP(=O)(O)c1ccccc1)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C12H10BrO3P/c13-10-5-4-6-11(9-10)16-17(14,15)12-7-2-1-3-8-12/h1-9H,(H,14,15) |
| InChIKey | InChI | 1.03 | WLHHOMQLKFZCAO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[P](=O)(Oc1cccc(Br)c1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | O[P](=O)(Oc1cccc(Br)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)P(=O)(O)Oc2cccc(c2)Br |
