2H-benzotriazol-4-yloxyphosphane

C6H6N3OP — CID 70377971

IUPAC2H-benzotriazol-4-yloxyphosphane
SMILESPOc1cccc2n[nH]nc12
InChIInChI=1S/C6H6N3OP/c11-10-5-3-1-2-4-6(5)8-9-7-4/h1-3H,11H2,(H,7,8,9)
InChIKeyZOQXJXMDCXGURL-UHFFFAOYSA-N
MW167.11 g/mol
LogP1.13
Rot. Bonds1

About 2H-benzotriazol-4-yloxyphosphane

2H-benzotriazol-4-yloxyphosphane (PubChem CID 70377971) has the molecular formula C6H6N3OP and a molecular weight of 167.11 g/mol. Its IUPAC name is 2H-benzotriazol-4-yloxyphosphane.

Molecular Properties

Compound Name2H-benzotriazol-4-yloxyphosphane
PubChem CID70377971
Molecular FormulaC6H6N3OP
Molecular Weight167.11 g/mol
Exact Mass167.02
IUPAC Name2H-benzotriazol-4-yloxyphosphane
SMILESPOc1cccc2n[nH]nc12
InChIInChI=1S/C6H6N3OP/c11-10-5-3-1-2-4-6(5)8-9-7-4/h1-3H,11H2,(H,7,8,9)
InChIKeyZOQXJXMDCXGURL-UHFFFAOYSA-N
XLogP1.13
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-4-yloxyphosphane?
The IUPAC name of 2H-benzotriazol-4-yloxyphosphane (CID 70377971) is 2H-benzotriazol-4-yloxyphosphane.
What is the SMILES notation for 2H-benzotriazol-4-yloxyphosphane?
The canonical SMILES for 2H-benzotriazol-4-yloxyphosphane is POc1cccc2n[nH]nc12.
What is the InChIKey of 2H-benzotriazol-4-yloxyphosphane?
The InChIKey is ZOQXJXMDCXGURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3OP/c11-10-5-3-1-2-4-6(5)8-9-7-4/h1-3H,11H2,(H,7,8,9).
What are the key properties of 2H-benzotriazol-4-yloxyphosphane?
2H-benzotriazol-4-yloxyphosphane has a molecular weight of 167.11 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-4-yloxyphosphane is sourced from PubChem (CID 70377971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).