[4-(chloromethyl)phenyl]-phenyldiazene

C13H11ClN2 — CID 86122075

IUPAC[4-(chloromethyl)phenyl]-phenyldiazene
SMILESClCc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H11ClN2/c14-10-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,10H2/b16-15+
InChIKeyDLWTUFYRNCIAHL-FOCLMDBBSA-N
MW230.70 g/mol
LogP4.84
Rot. Bonds3

About [4-(chloromethyl)phenyl]-phenyldiazene

[4-(chloromethyl)phenyl]-phenyldiazene (PubChem CID 86122075) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]-phenyldiazene.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]-phenyldiazene
PubChem CID86122075
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name[4-(chloromethyl)phenyl]-phenyldiazene
SMILESClCc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C13H11ClN2/c14-10-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,10H2/b16-15+
InChIKeyDLWTUFYRNCIAHL-FOCLMDBBSA-N
XLogP4.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]-phenyldiazene?
The IUPAC name of [4-(chloromethyl)phenyl]-phenyldiazene (CID 86122075) is [4-(chloromethyl)phenyl]-phenyldiazene.
What is the SMILES notation for [4-(chloromethyl)phenyl]-phenyldiazene?
The canonical SMILES for [4-(chloromethyl)phenyl]-phenyldiazene is ClCc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]-phenyldiazene?
The InChIKey is DLWTUFYRNCIAHL-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H11ClN2/c14-10-11-6-8-13(9-7-11)16-15-12-4-2-1-3-5-12/h1-9H,10H2/b16-15+.
What are the key properties of [4-(chloromethyl)phenyl]-phenyldiazene?
[4-(chloromethyl)phenyl]-phenyldiazene has a molecular weight of 230.70 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]-phenyldiazene is sourced from PubChem (CID 86122075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).