1-chloroethanediazonium

C2H4ClN2+ — CID 19853659

IUPAC1-chloroethanediazonium
SMILESCC(Cl)[N+]#N
InChIInChI=1S/C2H4ClN2/c1-2(3)5-4/h2H,1H3/q+1
InChIKeyNBOYGVZHJQNJHF-UHFFFAOYSA-N
MW91.52 g/mol
LogP1.42
Rot. Bonds

About 1-chloroethanediazonium

1-chloroethanediazonium (PubChem CID 19853659) has the molecular formula C2H4ClN2+ and a molecular weight of 91.52 g/mol. Its IUPAC name is 1-chloroethanediazonium.

Molecular Properties

Compound Name1-chloroethanediazonium
PubChem CID19853659
Molecular FormulaC2H4ClN2+
Molecular Weight91.52 g/mol
Exact Mass91.01
IUPAC Name1-chloroethanediazonium
SMILESCC(Cl)[N+]#N
InChIInChI=1S/C2H4ClN2/c1-2(3)5-4/h2H,1H3/q+1
InChIKeyNBOYGVZHJQNJHF-UHFFFAOYSA-N
XLogP1.42
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.52
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloroethanediazonium?
The IUPAC name of 1-chloroethanediazonium (CID 19853659) is 1-chloroethanediazonium.
What is the SMILES notation for 1-chloroethanediazonium?
The canonical SMILES for 1-chloroethanediazonium is CC(Cl)[N+]#N.
What is the InChIKey of 1-chloroethanediazonium?
The InChIKey is NBOYGVZHJQNJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4ClN2/c1-2(3)5-4/h2H,1H3/q+1.
What are the key properties of 1-chloroethanediazonium?
1-chloroethanediazonium has a molecular weight of 91.52 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethanediazonium is sourced from PubChem (CID 19853659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).