3-Chloro-6-(m-chlorophenyl)-4-methylpyridazine

HCID 14450220

Notes Reactions

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Basic information

CAS: 28657-40-1
Standard SMILES: Cc1cc(-c2cccc(Cl)c2)nnc1Cl
InChIKey: PQRUWFXWCNWNBF-UHFFFAOYSA-N
Molecular formula: C11H8Cl2N2
Average molar mass: 239.1 g/mol
Monoisotopic mass: 238.0064537

Names & identifiers

Preferred name: 3-Chloro-6-(m-chlorophenyl)-4-methylpyridazine
IUPAC: 3-chloro-6-(3-chlorophenyl)-4-methylpyridazine

Names & synonyms

28657-40-13-chloro-6-(m-chlorophenyl)-4-methylpyridazineSCHEMBL10835499PQRUWFXWCNWNBF-UHFFFAOYSA-NDTXSID9012481053-chloro-6-(3-chlorophenyl)-4-methylpyridazine

Database identifiers

CAS: 28657-40-1
PubChem CID: 14450220
DTXSID: DTXSID901248105

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 25.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 213

Related reactions

6 records

New reaction record

HRID 315452As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 955014As productValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1731718As reactantuspto-grants-1986_11

HRID 1763596As productuspto-grants-1978_09

HRID 1763597As reactantuspto-grants-1978_09

HRID 1763599As reactantuspto-grants-1978_09

Compound notes

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