isocyanic acid;phenylphosphane

C8H9N2O2P — CID 172816012

IUPACisocyanic acid;phenylphosphane
SMILESN=C=O.N=C=O.Pc1ccccc1
InChIInChI=1S/C6H7P.2CHNO/c7-6-4-2-1-3-5-6;2*2-1-3/h1-5H,7H2;2*2H
InChIKeySUVMKJMSLGZBBG-UHFFFAOYSA-N
MW196.15 g/mol
LogP0.99
Rot. Bonds

About isocyanic acid;phenylphosphane

isocyanic acid;phenylphosphane (PubChem CID 172816012) has the molecular formula C8H9N2O2P and a molecular weight of 196.15 g/mol. Its IUPAC name is isocyanic acid;phenylphosphane.

Molecular Properties

Compound Nameisocyanic acid;phenylphosphane
PubChem CID172816012
Molecular FormulaC8H9N2O2P
Molecular Weight196.15 g/mol
Exact Mass196.04
IUPAC Nameisocyanic acid;phenylphosphane
SMILESN=C=O.N=C=O.Pc1ccccc1
InChIInChI=1S/C6H7P.2CHNO/c7-6-4-2-1-3-5-6;2*2-1-3/h1-5H,7H2;2*2H
InChIKeySUVMKJMSLGZBBG-UHFFFAOYSA-N
XLogP0.99
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.15
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Urea, polymer with formaldehyde and phenol
CID 159997
Phenylmercuriurea
CID 16783
Phenylphosphonic diisocyanate
CID 13567711
Diphenyltin diisocyanate
CID 14296719
Phenyl phosphorus diisocyanate
CID 15186832
Carbamoyl-diphenyl-phosphinoxyd
CID 129629767
Diphenylphosphanylformamide
CID 134897480
Diisocyanatodiphenylplumbane
CID 85519044
N-diphenylphosphorylurea
CID 85960083
[Ethenyl(isocyanato)phosphoryl]benzene
CID 13955033
Benzene;urea
CID 18372414
Ethenyl-isocyanato-phenyl-sulfanylidene-lambda5-phosphane
CID 21667968

Frequently Asked Questions

What is the IUPAC name of isocyanic acid;phenylphosphane?
The IUPAC name of isocyanic acid;phenylphosphane (CID 172816012) is isocyanic acid;phenylphosphane.
What is the SMILES notation for isocyanic acid;phenylphosphane?
The canonical SMILES for isocyanic acid;phenylphosphane is N=C=O.N=C=O.Pc1ccccc1.
What is the InChIKey of isocyanic acid;phenylphosphane?
The InChIKey is SUVMKJMSLGZBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7P.2CHNO/c7-6-4-2-1-3-5-6;2*2-1-3/h1-5H,7H2;2*2H.
What are the key properties of isocyanic acid;phenylphosphane?
isocyanic acid;phenylphosphane has a molecular weight of 196.15 g/mol, XLogP of 0.99, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for isocyanic acid;phenylphosphane is sourced from PubChem (CID 172816012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).