4-chloro-2-methylbenzenediazonium chloride

C7H6Cl2N2 — CID 12830371

IUPAC4-chloro-2-methylbenzenediazonium chloride
SMILESCc1cc(Cl)ccc1[N+]#N.[Cl-]
InChIInChI=1S/C7H6ClN2.ClH/c1-5-4-6(8)2-3-7(5)10-9;/h2-4H,1H3;1H/q+1;/p-1
InChIKeyPVRAWCMFSQBKGP-UHFFFAOYSA-M
MW189.05 g/mol
LogP0.14
Rot. Bonds

About 4-chloro-2-methylbenzenediazonium chloride

4-chloro-2-methylbenzenediazonium chloride (PubChem CID 12830371) has the molecular formula C7H6Cl2N2 and a molecular weight of 189.05 g/mol. Its IUPAC name is 4-chloro-2-methylbenzenediazonium chloride.

Molecular Properties

Compound Name4-chloro-2-methylbenzenediazonium chloride
PubChem CID12830371
Molecular FormulaC7H6Cl2N2
Molecular Weight189.05 g/mol
Exact Mass187.99
IUPAC Name4-chloro-2-methylbenzenediazonium chloride
SMILESCc1cc(Cl)ccc1[N+]#N.[Cl-]
InChIInChI=1S/C7H6ClN2.ClH/c1-5-4-6(8)2-3-7(5)10-9;/h2-4H,1H3;1H/q+1;/p-1
InChIKeyPVRAWCMFSQBKGP-UHFFFAOYSA-M
XLogP0.14
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.05
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methylbenzenediazonium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methylbenzenediazonium chloride?
The IUPAC name of 4-chloro-2-methylbenzenediazonium chloride (CID 12830371) is 4-chloro-2-methylbenzenediazonium chloride.
What is the SMILES notation for 4-chloro-2-methylbenzenediazonium chloride?
The canonical SMILES for 4-chloro-2-methylbenzenediazonium chloride is Cc1cc(Cl)ccc1[N+]#N.[Cl-].
What is the InChIKey of 4-chloro-2-methylbenzenediazonium chloride?
The InChIKey is PVRAWCMFSQBKGP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6ClN2.ClH/c1-5-4-6(8)2-3-7(5)10-9;/h2-4H,1H3;1H/q+1;/p-1.
What are the key properties of 4-chloro-2-methylbenzenediazonium chloride?
4-chloro-2-methylbenzenediazonium chloride has a molecular weight of 189.05 g/mol, XLogP of 0.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methylbenzenediazonium chloride is sourced from PubChem (CID 12830371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).