(2-bromophenyl)-phenylphosphinic acid

C12H10BrO2P — CID 3066267

IUPAC(2-bromophenyl)-phenylphosphinic acid
SMILESO=P(O)(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C12H10BrO2P/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKeySOSFPISJRXUWMJ-UHFFFAOYSA-N
MW297.09 g/mol
LogP2.67
Rot. Bonds2

About (2-bromophenyl)-phenylphosphinic acid

(2-bromophenyl)-phenylphosphinic acid (PubChem CID 3066267) has the molecular formula C12H10BrO2P and a molecular weight of 297.09 g/mol. Its IUPAC name is (2-bromophenyl)-phenylphosphinic acid.

Molecular Properties

Compound Name(2-bromophenyl)-phenylphosphinic acid
PubChem CID3066267
Molecular FormulaC12H10BrO2P
Molecular Weight297.09 g/mol
Exact Mass295.96
IUPAC Name(2-bromophenyl)-phenylphosphinic acid
SMILESO=P(O)(c1ccccc1)c1ccccc1Br
InChIInChI=1S/C12H10BrO2P/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,(H,14,15)
InChIKeySOSFPISJRXUWMJ-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.09
LogP ≤ 52.67
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

diphenylphosphinic acid chloride
CID 53401992
(2,3-diaminophenyl)-phenylphosphinic acid
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1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene
CID 135193040
[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid
CID 3354156
phenylphosphonic acid;terbium
CID 175289814
CID 66766975
CID 66766975
phenylphosphonic acid;phosphane
CID 157219344
phenylphosphonamidic acid
CID 18388605
2-diphenylphosphorylphenol
CID 626229
(4-methoxyphenyl)-naphthalen-1-ylphosphinic acid
CID 54108452
naphthalen-2-yl(phenyl)phosphinic acid
CID 102162733
2,6-dibromo-4-[(3,5-dibromo-4-hydroxyphenyl)-phenylphosphoryl]phenol
CID 54039052

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)-phenylphosphinic acid?
The IUPAC name of (2-bromophenyl)-phenylphosphinic acid (CID 3066267) is (2-bromophenyl)-phenylphosphinic acid.
What is the SMILES notation for (2-bromophenyl)-phenylphosphinic acid?
The canonical SMILES for (2-bromophenyl)-phenylphosphinic acid is O=P(O)(c1ccccc1)c1ccccc1Br.
What is the InChIKey of (2-bromophenyl)-phenylphosphinic acid?
The InChIKey is SOSFPISJRXUWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrO2P/c13-11-8-4-5-9-12(11)16(14,15)10-6-2-1-3-7-10/h1-9H,(H,14,15).
What are the key properties of (2-bromophenyl)-phenylphosphinic acid?
(2-bromophenyl)-phenylphosphinic acid has a molecular weight of 297.09 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)-phenylphosphinic acid is sourced from PubChem (CID 3066267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).