benzene;oxophosphane;dihydrochloride

C6H9Cl2OP — CID 174457105

IUPACbenzene;oxophosphane;dihydrochloride
SMILESCl.Cl.O=P.c1ccccc1
InChIInChI=1S/C6H6.2ClH.HOP/c1-2-4-6-5-3-1;;;1-2/h1-6H;2*1H;2H
InChIKeyWWVWSKOBJAYECG-UHFFFAOYSA-N
MW199.02 g/mol
LogP3.00
Rot. Bonds

About benzene;oxophosphane;dihydrochloride

benzene;oxophosphane;dihydrochloride (PubChem CID 174457105) has the molecular formula C6H9Cl2OP and a molecular weight of 199.02 g/mol. Its IUPAC name is benzene;oxophosphane;dihydrochloride.

Molecular Properties

Compound Namebenzene;oxophosphane;dihydrochloride
PubChem CID174457105
Molecular FormulaC6H9Cl2OP
Molecular Weight199.02 g/mol
Exact Mass197.98
IUPAC Namebenzene;oxophosphane;dihydrochloride
SMILESCl.Cl.O=P.c1ccccc1
InChIInChI=1S/C6H6.2ClH.HOP/c1-2-4-6-5-3-1;;;1-2/h1-6H;2*1H;2H
InChIKeyWWVWSKOBJAYECG-UHFFFAOYSA-N
XLogP3.00
TPSA17.07 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 ≤ 53.00
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;oxophosphane;dihydrochloride?
The IUPAC name of benzene;oxophosphane;dihydrochloride (CID 174457105) is benzene;oxophosphane;dihydrochloride.
What is the SMILES notation for benzene;oxophosphane;dihydrochloride?
The canonical SMILES for benzene;oxophosphane;dihydrochloride is Cl.Cl.O=P.c1ccccc1.
What is the InChIKey of benzene;oxophosphane;dihydrochloride?
The InChIKey is WWVWSKOBJAYECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.2ClH.HOP/c1-2-4-6-5-3-1;;;1-2/h1-6H;2*1H;2H.
What are the key properties of benzene;oxophosphane;dihydrochloride?
benzene;oxophosphane;dihydrochloride has a molecular weight of 199.02 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;oxophosphane;dihydrochloride is sourced from PubChem (CID 174457105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).