[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride

C7H9Cl4NO2P2 — CID 174937204

IUPAC[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride
SMILESNCP(=O)(Cl)c1ccccc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C7H9ClNOP.Cl3OP/c8-11(10,6-9)7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6,9H2;
InChIKeyKZMMMTKIBMRTJX-UHFFFAOYSA-N
MW342.91 g/mol
LogP4.56
Rot. Bonds2

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

[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride (PubChem CID 174937204) has the molecular formula C7H9Cl4NO2P2 and a molecular weight of 342.91 g/mol. Its IUPAC name is [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride.

Molecular Properties

Compound Name[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride
PubChem CID174937204
Molecular FormulaC7H9Cl4NO2P2
Molecular Weight342.91 g/mol
Exact Mass340.89
IUPAC Name[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride
SMILESNCP(=O)(Cl)c1ccccc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C7H9ClNOP.Cl3OP/c8-11(10,6-9)7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6,9H2;
InChIKeyKZMMMTKIBMRTJX-UHFFFAOYSA-N
XLogP4.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloro(phenyl)phosphoryl]methanamine
CID 174662343
[chloro(2-chloroethyl)phosphoryl]benzene
CID 12524522
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
[methyl(phenyl)phosphoryl]methanamine
CID 58489074
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
[diphenylphosphorylmethyl(phenyl)phosphoryl]benzene;terbium(3+)
CID 170659309
diphenylphosphorylbenzene;terbium
CID 86595283
dichlorochromium;bis(diphenylphosphorylbenzene)
CID 23290734
phenylphosphonamidic acid
CID 18388605
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
[chloro-[(Z)-2-chloroethenyl]phosphoryl]benzene
CID 23260967

Frequently Asked Questions

What is the IUPAC name of [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride?
The IUPAC name of [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride (CID 174937204) is [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride.
What is the SMILES notation for [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride?
The canonical SMILES for [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride is NCP(=O)(Cl)c1ccccc1.O=P(Cl)(Cl)Cl.
What is the InChIKey of [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride?
The InChIKey is KZMMMTKIBMRTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClNOP.Cl3OP/c8-11(10,6-9)7-4-2-1-3-5-7;1-5(2,3)4/h1-5H,6,9H2;.
What are the key properties of [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride?
[chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride has a molecular weight of 342.91 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(phenyl)phosphoryl]methanamine;phosphoryl trichloride is sourced from PubChem (CID 174937204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).