(2-chlorophenyl)phosphonous acid

C6H6ClO2P — CID 89079880

IUPAC(2-chlorophenyl)phosphonous acid
SMILESOP(O)c1ccccc1Cl
InChIInChI=1S/C6H6ClO2P/c7-5-3-1-2-4-6(5)10(8)9/h1-4,8-9H
InChIKeyCZRAKRWNMBBBJJ-UHFFFAOYSA-N
MW176.54 g/mol
LogP1.26
Rot. Bonds1

About (2-chlorophenyl)phosphonous acid

(2-chlorophenyl)phosphonous acid (PubChem CID 89079880) has the molecular formula C6H6ClO2P and a molecular weight of 176.54 g/mol. Its IUPAC name is (2-chlorophenyl)phosphonous acid.

Molecular Properties

Compound Name(2-chlorophenyl)phosphonous acid
PubChem CID89079880
Molecular FormulaC6H6ClO2P
Molecular Weight176.54 g/mol
Exact Mass175.98
IUPAC Name(2-chlorophenyl)phosphonous acid
SMILESOP(O)c1ccccc1Cl
InChIInChI=1S/C6H6ClO2P/c7-5-3-1-2-4-6(5)10(8)9/h1-4,8-9H
InChIKeyCZRAKRWNMBBBJJ-UHFFFAOYSA-N
XLogP1.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.54
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)phosphonous acid?
The IUPAC name of (2-chlorophenyl)phosphonous acid (CID 89079880) is (2-chlorophenyl)phosphonous acid.
What is the SMILES notation for (2-chlorophenyl)phosphonous acid?
The canonical SMILES for (2-chlorophenyl)phosphonous acid is OP(O)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)phosphonous acid?
The InChIKey is CZRAKRWNMBBBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClO2P/c7-5-3-1-2-4-6(5)10(8)9/h1-4,8-9H.
What are the key properties of (2-chlorophenyl)phosphonous acid?
(2-chlorophenyl)phosphonous acid has a molecular weight of 176.54 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)phosphonous acid is sourced from PubChem (CID 89079880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).