[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride

C12H10Cl4O2P2 — CID 174876703

IUPAC[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
SMILESO=P(Cl)(Cl)Cl.O=P(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10ClOP.Cl3OP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;
InChIKeyBLXLTQNNTHJQSH-UHFFFAOYSA-N
MW389.97 g/mol
LogP5.97
Rot. Bonds2

About [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride

[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride (PubChem CID 174876703) has the molecular formula C12H10Cl4O2P2 and a molecular weight of 389.97 g/mol. Its IUPAC name is [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride.

Molecular Properties

Compound Name[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
PubChem CID174876703
Molecular FormulaC12H10Cl4O2P2
Molecular Weight389.97 g/mol
Exact Mass387.89
IUPAC Name[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
SMILESO=P(Cl)(Cl)Cl.O=P(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10ClOP.Cl3OP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;
InChIKeyBLXLTQNNTHJQSH-UHFFFAOYSA-N
XLogP5.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.97
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride
CID 174937204
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
diphenylphosphorylbenzene;terbium
CID 86595283
[chloro(2-chloroethyl)phosphoryl]benzene
CID 12524522
[chloro(phenyl)phosphoryl]methanamine
CID 174662343
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
[chloro-[(Z)-2-chloroethenyl]phosphoryl]benzene
CID 23260967
diphenylphosphorylazanide
CID 18705552
6-chlorobenzo[c][2,1]benzoxaphosphinine 6-oxide;[chloro(phenyl)phosphoryl]benzene
CID 158016328
[tert-butyl(methyl)phosphoryl]benzene
CID 12568654
[tert-butyl(methyl)phosphoryl]benzene
CID 12568653
copper dioxido-oxo-phenyl-λ5-phosphane
CID 68627267

Frequently Asked Questions

What is the IUPAC name of [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride?
The IUPAC name of [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride (CID 174876703) is [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride.
What is the SMILES notation for [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride?
The canonical SMILES for [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride is O=P(Cl)(Cl)Cl.O=P(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride?
The InChIKey is BLXLTQNNTHJQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClOP.Cl3OP/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5(2,3)4/h1-10H;.
What are the key properties of [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride?
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride has a molecular weight of 389.97 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride is sourced from PubChem (CID 174876703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).