(4-chlorophenyl)-methoxydiazene

C7H7ClN2O — CID 131845270

IUPAC(4-chlorophenyl)-methoxydiazene
SMILESCO/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClN2O/c1-11-10-9-7-4-2-6(8)3-5-7/h2-5H,1H3/b10-9+
InChIKeyGWNIJKUPTHIDCS-MDZDMXLPSA-N
MW170.60 g/mol
LogP2.99
Rot. Bonds2

About (4-chlorophenyl)-methoxydiazene

(4-chlorophenyl)-methoxydiazene (PubChem CID 131845270) has the molecular formula C7H7ClN2O and a molecular weight of 170.60 g/mol. Its IUPAC name is (4-chlorophenyl)-methoxydiazene.

Molecular Properties

Compound Name(4-chlorophenyl)-methoxydiazene
PubChem CID131845270
Molecular FormulaC7H7ClN2O
Molecular Weight170.60 g/mol
Exact Mass170.02
IUPAC Name(4-chlorophenyl)-methoxydiazene
SMILESCO/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C7H7ClN2O/c1-11-10-9-7-4-2-6(8)3-5-7/h2-5H,1H3/b10-9+
InChIKeyGWNIJKUPTHIDCS-MDZDMXLPSA-N
XLogP2.99
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.60
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-methoxydiazene?
The IUPAC name of (4-chlorophenyl)-methoxydiazene (CID 131845270) is (4-chlorophenyl)-methoxydiazene.
What is the SMILES notation for (4-chlorophenyl)-methoxydiazene?
The canonical SMILES for (4-chlorophenyl)-methoxydiazene is CO/N=N/c1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)-methoxydiazene?
The InChIKey is GWNIJKUPTHIDCS-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H7ClN2O/c1-11-10-9-7-4-2-6(8)3-5-7/h2-5H,1H3/b10-9+.
What are the key properties of (4-chlorophenyl)-methoxydiazene?
(4-chlorophenyl)-methoxydiazene has a molecular weight of 170.60 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-methoxydiazene is sourced from PubChem (CID 131845270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).