(4-bromophenyl)-methylphosphinic acid

C7H8BrO2P — CID 129135167

IUPAC(4-bromophenyl)-methylphosphinic acid
SMILESCP(=O)(O)c1ccc(Br)cc1
InChIInChI=1S/C7H8BrO2P/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)
InChIKeyPUVACQXDTZXYTI-UHFFFAOYSA-N
MW235.02 g/mol
LogP1.97
Rot. Bonds1

About (4-bromophenyl)-methylphosphinic acid

(4-bromophenyl)-methylphosphinic acid (PubChem CID 129135167) has the molecular formula C7H8BrO2P and a molecular weight of 235.02 g/mol. Its IUPAC name is (4-bromophenyl)-methylphosphinic acid.

Molecular Properties

Compound Name(4-bromophenyl)-methylphosphinic acid
PubChem CID129135167
Molecular FormulaC7H8BrO2P
Molecular Weight235.02 g/mol
Exact Mass233.94
IUPAC Name(4-bromophenyl)-methylphosphinic acid
SMILESCP(=O)(O)c1ccc(Br)cc1
InChIInChI=1S/C7H8BrO2P/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10)
InChIKeyPUVACQXDTZXYTI-UHFFFAOYSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.02
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl(phenyl)phosphinic acid;zinc
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1-bromo-4-(dimethylphosphorylmethyl)benzene
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1-[(4-bromophenyl)-(2-methylphenyl)phosphoryl]-2-methylbenzene
CID 150421985
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CID 169262128
4-bromophenol;propan-2-one
CID 159519673
(4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane
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4-(4-bromophenyl)butylphosphonic acid
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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-methylphosphinic acid?
The IUPAC name of (4-bromophenyl)-methylphosphinic acid (CID 129135167) is (4-bromophenyl)-methylphosphinic acid.
What is the SMILES notation for (4-bromophenyl)-methylphosphinic acid?
The canonical SMILES for (4-bromophenyl)-methylphosphinic acid is CP(=O)(O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-methylphosphinic acid?
The InChIKey is PUVACQXDTZXYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrO2P/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3,(H,9,10).
What are the key properties of (4-bromophenyl)-methylphosphinic acid?
(4-bromophenyl)-methylphosphinic acid has a molecular weight of 235.02 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-methylphosphinic acid is sourced from PubChem (CID 129135167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).