[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride

C7H8Cl4O3P2 — CID 174937208

IUPAC[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
SMILESCOP(=O)(Cl)c1ccccc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C7H8ClO2P.Cl3OP/c1-10-11(8,9)7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;
InChIKeyAWANQLQOYXAEER-UHFFFAOYSA-N
MW343.90 g/mol
LogP5.20
Rot. Bonds2

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

[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride (PubChem CID 174937208) has the molecular formula C7H8Cl4O3P2 and a molecular weight of 343.90 g/mol. Its IUPAC name is [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride.

Molecular Properties

Compound Name[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
PubChem CID174937208
Molecular FormulaC7H8Cl4O3P2
Molecular Weight343.90 g/mol
Exact Mass341.87
IUPAC Name[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
SMILESCOP(=O)(Cl)c1ccccc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C7H8ClO2P.Cl3OP/c1-10-11(8,9)7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;
InChIKeyAWANQLQOYXAEER-UHFFFAOYSA-N
XLogP5.20
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.90
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
[chloromethyl(methoxy)phosphoryl]benzene
CID 59938019
potassium methoxy(phenyl)phosphinate
CID 141246459
2-[methoxy(phenyl)phosphoryl]prop-2-enoic acid
CID 15948085
3-[methoxy(phenyl)phosphoryl]propanoic acid
CID 141176838
[2-dimethoxyphosphorylethyl(phenyl)phosphoryl]benzene
CID 15362204
[methoxy-[(Z)-prop-1-enyl]phosphoryl]benzene
CID 23272961
diphenylphosphorylbenzene;methyl N-(methoxycarbonylamino)carbamate
CID 139081479
[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride
CID 174937204
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
1-[methoxy(phenyl)phosphoryl]-2-phenylethanone
CID 86255472

Frequently Asked Questions

What is the IUPAC name of [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride?
The IUPAC name of [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride (CID 174937208) is [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride.
What is the SMILES notation for [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride?
The canonical SMILES for [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride is COP(=O)(Cl)c1ccccc1.O=P(Cl)(Cl)Cl.
What is the InChIKey of [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride?
The InChIKey is AWANQLQOYXAEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClO2P.Cl3OP/c1-10-11(8,9)7-5-3-2-4-6-7;1-5(2,3)4/h2-6H,1H3;.
What are the key properties of [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride?
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride has a molecular weight of 343.90 g/mol, XLogP of 5.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride is sourced from PubChem (CID 174937208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).