Basic information
- Standard SMILES
NCc1cc(-c2ccc(Cl)s2)on1- InChIKey
HAKZJQBVGYPSNP-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2OS
- Average molar mass
- 214.67 g/mol
Names & identifiers
- Preferred name
- (5-(5-Chlorothiophen-2-yl)isoxazol-3-yl)methanamine
- IUPAC
- [5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methanamine
Names & synonyms
SCHEMBL3371033HAKZJQBVGYPSNP-UHFFFAOYSA-NAKOS019025620(5-(5-chlorothiophen-2-yl)isoxazol-3-yl)methanamineC-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-yl]-methylamine
Database identifiers
- PubChem CID
- 68616593
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Related reactions
3 records
Compound notes
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