[bromo-(4-chlorophenyl)methyl]phosphonic acid

C7H7BrClO3P — CID 19909702

IUPAC[bromo-(4-chlorophenyl)methyl]phosphonic acid
SMILESO=P(O)(O)C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C7H7BrClO3P/c8-7(13(10,11)12)5-1-3-6(9)4-2-5/h1-4,7H,(H2,10,11,12)
InChIKeyUPWGOLZYIBJVCG-UHFFFAOYSA-N
MW285.46 g/mol
LogP2.91
Rot. Bonds2

About [bromo-(4-chlorophenyl)methyl]phosphonic acid

[bromo-(4-chlorophenyl)methyl]phosphonic acid (PubChem CID 19909702) has the molecular formula C7H7BrClO3P and a molecular weight of 285.46 g/mol. Its IUPAC name is [bromo-(4-chlorophenyl)methyl]phosphonic acid.

Molecular Properties

Compound Name[bromo-(4-chlorophenyl)methyl]phosphonic acid
PubChem CID19909702
Molecular FormulaC7H7BrClO3P
Molecular Weight285.46 g/mol
Exact Mass283.90
IUPAC Name[bromo-(4-chlorophenyl)methyl]phosphonic acid
SMILESO=P(O)(O)C(Br)c1ccc(Cl)cc1
InChIInChI=1S/C7H7BrClO3P/c8-7(13(10,11)12)5-1-3-6(9)4-2-5/h1-4,7H,(H2,10,11,12)
InChIKeyUPWGOLZYIBJVCG-UHFFFAOYSA-N
XLogP2.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 52.91
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(phenyl)methyl]phosphonic acid
CID 11736830
1-chloro-4-(dibromomethyl)benzene
CID 3017302
1,4-dichlorobenzene;phosphoric acid
CID 175035024
[2-amino-1-(4-chlorophenyl)ethyl]phosphonic acid
CID 10513936
(2S)-2-amino-3-[4-[bromo(phosphono)methyl]phenyl]propanoic acid
CID 52947425
2-bromo-2-(4-chlorophenyl)acetaldehyde
CID 54154255
(1S,5S)-1,5-dibromo-1,5-bis(4-chlorophenyl)pentan-3-one
CID 174623218
(4-chlorophenyl)sulfanylmethylphosphonic acid
CID 86131066
[(4-chlorophenyl)-methoxymethyl] dihydrogen phosphate
CID 175482613
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
4-bromo-4-(4-chlorophenyl)butan-2-one
CID 69177509
3,4-dibromo-4-(4-chlorophenyl)butan-2-one
CID 3755690

Frequently Asked Questions

What is the IUPAC name of [bromo-(4-chlorophenyl)methyl]phosphonic acid?
The IUPAC name of [bromo-(4-chlorophenyl)methyl]phosphonic acid (CID 19909702) is [bromo-(4-chlorophenyl)methyl]phosphonic acid.
What is the SMILES notation for [bromo-(4-chlorophenyl)methyl]phosphonic acid?
The canonical SMILES for [bromo-(4-chlorophenyl)methyl]phosphonic acid is O=P(O)(O)C(Br)c1ccc(Cl)cc1.
What is the InChIKey of [bromo-(4-chlorophenyl)methyl]phosphonic acid?
The InChIKey is UPWGOLZYIBJVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrClO3P/c8-7(13(10,11)12)5-1-3-6(9)4-2-5/h1-4,7H,(H2,10,11,12).
What are the key properties of [bromo-(4-chlorophenyl)methyl]phosphonic acid?
[bromo-(4-chlorophenyl)methyl]phosphonic acid has a molecular weight of 285.46 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [bromo-(4-chlorophenyl)methyl]phosphonic acid is sourced from PubChem (CID 19909702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).