6-Chloropyridazine-3-carbonyl chloride

HCID 21781185

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(Cl)c1ccc(Cl)nn1
InChIKey: PYLMMZSGQZYUIL-UHFFFAOYSA-N
Molecular formula: C5H2Cl2N2O
Average molar mass: 176.99 g/mol
Monoisotopic mass: 175.9544181

Names & identifiers

Preferred name: 6-Chloropyridazine-3-carbonyl chloride
IUPAC: 6-chloropyridazine-3-carbonyl chloride

Names & synonyms

6-chloropyridazine-3-carbonyl chloride6531-04-0MFCD099918893-Pyridazinecarbonyl chloride, 6-chloro-SCHEMBL724089PYLMMZSGQZYUIL-UHFFFAOYSA-N6-chloropyridazine-3-carbonylchloride6-chloro-3-pyridazinecarbonyl chlorideAKOS006310710SY161960DB-014640CS-0237089

Show more names

EN300-177793G41880F654625Z1198267211

Database identifiers

PubChem CID: 21781185

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 42.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 142

Related reactions

2 records

New reaction record

HRID 299340As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1372883As reactantuspto-grants-2007_01

Compound notes

Loading…