[bromo(phenyl)methyl]phosphonic acid

C7H8BrO3P — CID 11736830

IUPAC[bromo(phenyl)methyl]phosphonic acid
SMILESO=P(O)(O)C(Br)c1ccccc1
InChIInChI=1S/C7H8BrO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)
InChIKeyUQMARDZPRCIGET-UHFFFAOYSA-N
MW251.02 g/mol
LogP2.26
Rot. Bonds2

About [bromo(phenyl)methyl]phosphonic acid

[bromo(phenyl)methyl]phosphonic acid (PubChem CID 11736830) has the molecular formula C7H8BrO3P and a molecular weight of 251.02 g/mol. Its IUPAC name is [bromo(phenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[bromo(phenyl)methyl]phosphonic acid
PubChem CID11736830
Molecular FormulaC7H8BrO3P
Molecular Weight251.02 g/mol
Exact Mass249.94
IUPAC Name[bromo(phenyl)methyl]phosphonic acid
SMILESO=P(O)(O)C(Br)c1ccccc1
InChIInChI=1S/C7H8BrO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11)
InChIKeyUQMARDZPRCIGET-UHFFFAOYSA-N
XLogP2.26
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[bromo-(4-chlorophenyl)methyl]phosphonic acid
CID 19909702
[bromo(phenyl)methyl]-ethoxyphosphinic acid
CID 88730556
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
[(S)-amino(phenyl)methyl]phosphonic acid;hydrochloride
CID 138987682
(2S)-2-amino-3-[4-[bromo(phosphono)methyl]phenyl]propanoic acid
CID 52947425
diphenylmethanamine;phosphoric acid
CID 67153031
(2-chloro-1-phenylethyl)phosphonic acid
CID 172736254
(2,2,2-trifluoro-1-phenylethyl)phosphonic acid
CID 66612434
dimethylphosphoryl(phenyl)methanol
CID 58658737
[(1S)-3-hydroxy-1-phenylpropyl]phosphonic acid
CID 23660289
[[hydroxy(phenyl)methyl]-phenylphosphoryl]-phenylmethanol
CID 3784616
bis(2,2-diphenylacetyl)phosphinic acid
CID 159634764

Frequently Asked Questions

What is the IUPAC name of [bromo(phenyl)methyl]phosphonic acid?
The IUPAC name of [bromo(phenyl)methyl]phosphonic acid (CID 11736830) is [bromo(phenyl)methyl]phosphonic acid.
What is the SMILES notation for [bromo(phenyl)methyl]phosphonic acid?
The canonical SMILES for [bromo(phenyl)methyl]phosphonic acid is O=P(O)(O)C(Br)c1ccccc1.
What is the InChIKey of [bromo(phenyl)methyl]phosphonic acid?
The InChIKey is UQMARDZPRCIGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,(H2,9,10,11).
What are the key properties of [bromo(phenyl)methyl]phosphonic acid?
[bromo(phenyl)methyl]phosphonic acid has a molecular weight of 251.02 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo(phenyl)methyl]phosphonic acid is sourced from PubChem (CID 11736830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).