4-carbamoylbenzenediazonium chloride

C7H6ClN3O — CID 12689632

IUPAC4-carbamoylbenzenediazonium chloride
SMILESN#[N+]c1ccc(C(N)=O)cc1.[Cl-]
InChIInChI=1S/C7H5N3O.ClH/c8-7(11)5-1-3-6(10-9)4-2-5;/h1-4H,(H-,8,11);1H
InChIKeyDQZJSTBVRANEME-UHFFFAOYSA-N
MW183.60 g/mol
LogP-1.73
Rot. Bonds1

About 4-carbamoylbenzenediazonium chloride

4-carbamoylbenzenediazonium chloride (PubChem CID 12689632) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is 4-carbamoylbenzenediazonium chloride.

Molecular Properties

Compound Name4-carbamoylbenzenediazonium chloride
PubChem CID12689632
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name4-carbamoylbenzenediazonium chloride
SMILESN#[N+]c1ccc(C(N)=O)cc1.[Cl-]
InChIInChI=1S/C7H5N3O.ClH/c8-7(11)5-1-3-6(10-9)4-2-5;/h1-4H,(H-,8,11);1H
InChIKeyDQZJSTBVRANEME-UHFFFAOYSA-N
XLogP-1.73
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-carbamoylbenzenediazonium chloride?
The IUPAC name of 4-carbamoylbenzenediazonium chloride (CID 12689632) is 4-carbamoylbenzenediazonium chloride.
What is the SMILES notation for 4-carbamoylbenzenediazonium chloride?
The canonical SMILES for 4-carbamoylbenzenediazonium chloride is N#[N+]c1ccc(C(N)=O)cc1.[Cl-].
What is the InChIKey of 4-carbamoylbenzenediazonium chloride?
The InChIKey is DQZJSTBVRANEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O.ClH/c8-7(11)5-1-3-6(10-9)4-2-5;/h1-4H,(H-,8,11);1H.
What are the key properties of 4-carbamoylbenzenediazonium chloride?
4-carbamoylbenzenediazonium chloride has a molecular weight of 183.60 g/mol, XLogP of -1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoylbenzenediazonium chloride is sourced from PubChem (CID 12689632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).