chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene

C14H12Cl2N4 — CID 71442243

IUPACchloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene
SMILESCc1cc(-c2ccc(/N=N/Cl)c(C)c2)ccc1/N=N/Cl
InChIInChI=1S/C14H12Cl2N4/c1-9-7-11(3-5-13(9)17-19-15)12-4-6-14(18-20-16)10(2)8-12/h3-8H,1-2H3/b19-17+,20-18+
InChIKeyVKOKQJIFRFHYNR-XPWSMXQVSA-N
MW307.18 g/mol
LogP6.45
Rot. Bonds3

About chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene

chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene (PubChem CID 71442243) has the molecular formula C14H12Cl2N4 and a molecular weight of 307.18 g/mol. Its IUPAC name is chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene.

Molecular Properties

Compound Namechloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene
PubChem CID71442243
Molecular FormulaC14H12Cl2N4
Molecular Weight307.18 g/mol
Exact Mass306.04
IUPAC Namechloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene
SMILESCc1cc(-c2ccc(/N=N/Cl)c(C)c2)ccc1/N=N/Cl
InChIInChI=1S/C14H12Cl2N4/c1-9-7-11(3-5-13(9)17-19-15)12-4-6-14(18-20-16)10(2)8-12/h3-8H,1-2H3/b19-17+,20-18+
InChIKeyVKOKQJIFRFHYNR-XPWSMXQVSA-N
XLogP6.45
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.18
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene?
The IUPAC name of chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene (CID 71442243) is chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene.
What is the SMILES notation for chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene?
The canonical SMILES for chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene is Cc1cc(-c2ccc(/N=N/Cl)c(C)c2)ccc1/N=N/Cl.
What is the InChIKey of chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene?
The InChIKey is VKOKQJIFRFHYNR-XPWSMXQVSA-N. The full InChI is InChI=1S/C14H12Cl2N4/c1-9-7-11(3-5-13(9)17-19-15)12-4-6-14(18-20-16)10(2)8-12/h3-8H,1-2H3/b19-17+,20-18+.
What are the key properties of chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene?
chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene has a molecular weight of 307.18 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[4-[4-(chlorodiazenyl)-3-methylphenyl]-2-methylphenyl]diazene is sourced from PubChem (CID 71442243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).