benzene;chloro hypochlorite;phosphane

C6H9Cl2OP — CID 87433981

IUPACbenzene;chloro hypochlorite;phosphane
SMILESClOCl.P.c1ccccc1
InChIInChI=1S/C6H6.Cl2O.H3P/c1-2-4-6-5-3-1;1-3-2;/h1-6H;;1H3
InChIKeySSGWRKDKNULNME-UHFFFAOYSA-N
MW199.02 g/mol
LogP3.06
Rot. Bonds

About benzene;chloro hypochlorite;phosphane

benzene;chloro hypochlorite;phosphane (PubChem CID 87433981) has the molecular formula C6H9Cl2OP and a molecular weight of 199.02 g/mol. Its IUPAC name is benzene;chloro hypochlorite;phosphane.

Molecular Properties

Compound Namebenzene;chloro hypochlorite;phosphane
PubChem CID87433981
Molecular FormulaC6H9Cl2OP
Molecular Weight199.02 g/mol
Exact Mass197.98
IUPAC Namebenzene;chloro hypochlorite;phosphane
SMILESClOCl.P.c1ccccc1
InChIInChI=1S/C6H6.Cl2O.H3P/c1-2-4-6-5-3-1;1-3-2;/h1-6H;;1H3
InChIKeySSGWRKDKNULNME-UHFFFAOYSA-N
XLogP3.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.02
LogP ≤ 53.06
H-Bond Donors ≤ 50
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 benzene;chloro hypochlorite;phosphane?
The IUPAC name of benzene;chloro hypochlorite;phosphane (CID 87433981) is benzene;chloro hypochlorite;phosphane.
What is the SMILES notation for benzene;chloro hypochlorite;phosphane?
The canonical SMILES for benzene;chloro hypochlorite;phosphane is ClOCl.P.c1ccccc1.
What is the InChIKey of benzene;chloro hypochlorite;phosphane?
The InChIKey is SSGWRKDKNULNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.Cl2O.H3P/c1-2-4-6-5-3-1;1-3-2;/h1-6H;;1H3.
What are the key properties of benzene;chloro hypochlorite;phosphane?
benzene;chloro hypochlorite;phosphane has a molecular weight of 199.02 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;chloro hypochlorite;phosphane is sourced from PubChem (CID 87433981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).