About hydroxy carbonobromidate
hydroxy carbonobromidate (PubChem CID 88553867) has the molecular formula CHBrO3
and a molecular weight of 140.92 g/mol. Its IUPAC name is hydroxy carbonobromidate.
Molecular Properties
| Compound Name | hydroxy carbonobromidate |
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| PubChem CID | 88553867 |
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| Molecular Formula | CHBrO3 |
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| Molecular Weight | 140.92 g/mol |
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| Exact Mass | 139.91 |
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| IUPAC Name | hydroxy carbonobromidate |
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| SMILES | O=C(Br)OO |
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| InChI | InChI=1S/CHBrO3/c2-1(3)5-4/h4H |
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| InChIKey | IPVNRRGPKJTQNQ-UHFFFAOYSA-N |
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| XLogP | 0.99 |
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| TPSA | 46.53 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 140.92 |
| LogP ≤ 5 | 0.99 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of hydroxy carbonobromidate?
The IUPAC name of hydroxy carbonobromidate (CID 88553867) is hydroxy carbonobromidate.
What is the SMILES notation for hydroxy carbonobromidate?
The canonical SMILES for hydroxy carbonobromidate is O=C(Br)OO.
What is the InChIKey of hydroxy carbonobromidate?
The InChIKey is IPVNRRGPKJTQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CHBrO3/c2-1(3)5-4/h4H.
What are the key properties of hydroxy carbonobromidate?
hydroxy carbonobromidate has a molecular weight of 140.92 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy carbonobromidate is sourced from PubChem (CID 88553867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).