Basic information
- CAS
380631-83-4- Standard SMILES
O=C(O)c1ccccc1Sc1cc(Cl)nnc1-c1ccccc1- InChIKey
YWDXTCDUQOKBKI-UHFFFAOYSA-N- Molecular formula
- C17H11ClN2O2S
- Average molar mass
- 342.8 g/mol
Names & identifiers
- Preferred name
- 2-[(6-Chloro-3-phenyl-4-pyridazinyl)sulfanyl]benzoic acid
- IUPAC
- 2-(6-chloro-3-phenylpyridazin-4-yl)sulfanylbenzoic acid
- English name
- 2-[(6-chloro-3-phenyl-4-pyridazinyl)sulfanyl]benzoic acid
- Molecular formula
- C17H11ClN2O2S
- Molecular weight
- 342.79944
Names & synonyms
2-[(6-chloro-3-phenyl-4-pyridazinyl)sulfanyl]benzoic acidAE-406/410563832-(6-chloro-3-phenylpyridazin-4-yl)sulfanylbenzoic acid
Database identifiers
- CAS
380631-83-4
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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