PA0
Phenylarsine oxide
Created: | 2008-08-13 |
Last modified: | 2021-03-01 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 13 |
Chiral Atom Count | 0 |
Bond Count | 13 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | Phenylarsine oxide |
Synonyms | oxo(phenyl)arsane |
Systematic Name (OpenEye OEToolkits) | arsorosobenzene |
Formula | C6 H5 As O |
Molecular Weight | 168.025 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=[As]c1ccccc1 |
SMILES | CACTVS | 3.341 | O=[As]c1ccccc1 |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[As]=O |
Canonical SMILES | CACTVS | 3.341 | O=[As]c1ccccc1 |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)[As]=O |
InChI | InChI | 1.03 | InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H |
InChIKey | InChI | 1.03 | BQVCCPGCDUSGOE-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 4778 |
ChEMBL | CHEMBL477683 |
ChEBI | CHEBI:75253 |