[chloro(2-chloroethyl)phosphoryl]benzene

C8H9Cl2OP — CID 12524522

IUPAC[chloro(2-chloroethyl)phosphoryl]benzene
SMILESO=P(Cl)(CCCl)c1ccccc1
InChIInChI=1S/C8H9Cl2OP/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyAVAMWLFORNBVPV-UHFFFAOYSA-N
MW223.04 g/mol
LogP3.07
Rot. Bonds3

About [chloro(2-chloroethyl)phosphoryl]benzene

[chloro(2-chloroethyl)phosphoryl]benzene (PubChem CID 12524522) has the molecular formula C8H9Cl2OP and a molecular weight of 223.04 g/mol. Its IUPAC name is [chloro(2-chloroethyl)phosphoryl]benzene.

Molecular Properties

Compound Name[chloro(2-chloroethyl)phosphoryl]benzene
PubChem CID12524522
Molecular FormulaC8H9Cl2OP
Molecular Weight223.04 g/mol
Exact Mass221.98
IUPAC Name[chloro(2-chloroethyl)phosphoryl]benzene
SMILESO=P(Cl)(CCCl)c1ccccc1
InChIInChI=1S/C8H9Cl2OP/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyAVAMWLFORNBVPV-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.04
LogP ≤ 53.07
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of [chloro(2-chloroethyl)phosphoryl]benzene?
The IUPAC name of [chloro(2-chloroethyl)phosphoryl]benzene (CID 12524522) is [chloro(2-chloroethyl)phosphoryl]benzene.
What is the SMILES notation for [chloro(2-chloroethyl)phosphoryl]benzene?
The canonical SMILES for [chloro(2-chloroethyl)phosphoryl]benzene is O=P(Cl)(CCCl)c1ccccc1.
What is the InChIKey of [chloro(2-chloroethyl)phosphoryl]benzene?
The InChIKey is AVAMWLFORNBVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2OP/c9-6-7-12(10,11)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of [chloro(2-chloroethyl)phosphoryl]benzene?
[chloro(2-chloroethyl)phosphoryl]benzene has a molecular weight of 223.04 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(2-chloroethyl)phosphoryl]benzene is sourced from PubChem (CID 12524522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).