diphenylphosphinic acid chloride

C12H11ClO2P- — CID 53401992

IUPACdiphenylphosphinic acid chloride
SMILESO=P(O)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C12H11O2P.ClH/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,14);1H/p-1
InChIKeyPESFQZRACRVIMO-UHFFFAOYSA-M
MW253.65 g/mol
LogP-1.09
Rot. Bonds2

About diphenylphosphinic acid chloride

diphenylphosphinic acid chloride (PubChem CID 53401992) has the molecular formula C12H11ClO2P- and a molecular weight of 253.65 g/mol. Its IUPAC name is diphenylphosphinic acid chloride.

Molecular Properties

Compound Namediphenylphosphinic acid chloride
PubChem CID53401992
Molecular FormulaC12H11ClO2P-
Molecular Weight253.65 g/mol
Exact Mass253.02
IUPAC Namediphenylphosphinic acid chloride
SMILESO=P(O)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C12H11O2P.ClH/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,14);1H/p-1
InChIKeyPESFQZRACRVIMO-UHFFFAOYSA-M
XLogP-1.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenylphosphinic acid chloride?
The IUPAC name of diphenylphosphinic acid chloride (CID 53401992) is diphenylphosphinic acid chloride.
What is the SMILES notation for diphenylphosphinic acid chloride?
The canonical SMILES for diphenylphosphinic acid chloride is O=P(O)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of diphenylphosphinic acid chloride?
The InChIKey is PESFQZRACRVIMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H11O2P.ClH/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,13,14);1H/p-1.
What are the key properties of diphenylphosphinic acid chloride?
diphenylphosphinic acid chloride has a molecular weight of 253.65 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylphosphinic acid chloride is sourced from PubChem (CID 53401992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).