benzene;4-methylbenzenediazonium

C13H13N2+ — CID 160516571

IUPACbenzene;4-methylbenzenediazonium
SMILESCc1ccc([N+]#N)cc1.c1ccccc1
InChIInChI=1S/C7H7N2.C6H6/c1-6-2-4-7(9-8)5-3-6;1-2-4-6-5-3-1/h2-5H,1H3;1-6H/q+1;
InChIKeyQTSULTXWIZLCRC-UHFFFAOYSA-N
MW197.26 g/mol
LogP4.17
Rot. Bonds

About benzene;4-methylbenzenediazonium

benzene;4-methylbenzenediazonium (PubChem CID 160516571) has the molecular formula C13H13N2+ and a molecular weight of 197.26 g/mol. Its IUPAC name is benzene;4-methylbenzenediazonium.

Molecular Properties

Compound Namebenzene;4-methylbenzenediazonium
PubChem CID160516571
Molecular FormulaC13H13N2+
Molecular Weight197.26 g/mol
Exact Mass197.11
IUPAC Namebenzene;4-methylbenzenediazonium
SMILESCc1ccc([N+]#N)cc1.c1ccccc1
InChIInChI=1S/C7H7N2.C6H6/c1-6-2-4-7(9-8)5-3-6;1-2-4-6-5-3-1/h2-5H,1H3;1-6H/q+1;
InChIKeyQTSULTXWIZLCRC-UHFFFAOYSA-N
XLogP4.17
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;4-methylbenzenediazonium?
The IUPAC name of benzene;4-methylbenzenediazonium (CID 160516571) is benzene;4-methylbenzenediazonium.
What is the SMILES notation for benzene;4-methylbenzenediazonium?
The canonical SMILES for benzene;4-methylbenzenediazonium is Cc1ccc([N+]#N)cc1.c1ccccc1.
What is the InChIKey of benzene;4-methylbenzenediazonium?
The InChIKey is QTSULTXWIZLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2.C6H6/c1-6-2-4-7(9-8)5-3-6;1-2-4-6-5-3-1/h2-5H,1H3;1-6H/q+1;.
What are the key properties of benzene;4-methylbenzenediazonium?
benzene;4-methylbenzenediazonium has a molecular weight of 197.26 g/mol, XLogP of 4.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;4-methylbenzenediazonium is sourced from PubChem (CID 160516571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).