Basic information
- Standard SMILES
COc1nc(Br)cn2nc(S(=O)(=O)Cl)nc12- InChIKey
KTHHNHCCKGYMTH-UHFFFAOYSA-N- Molecular formula
- C6H4BrClN4O3S
- Average molar mass
- 327.54 g/mol
Names & identifiers
- Preferred name
- 6-Bromo-2-chlorosulfonyl-8-methoxy[1,2,4]triazolo[1,5-a]pyrazine
- IUPAC
- 6-bromo-8-methoxy-[1,2,4]triazolo[1,5-a]pyrazine-2-sulfonyl chloride
Names & synonyms
SCHEMBL8825660KTHHNHCCKGYMTH-UHFFFAOYSA-N6-bromo-2-chlorosulfonyl-8-methoxy[1,2,4]triazolo[1,5-a]pyrazine
Database identifiers
- PubChem CID
- 19975236
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 94.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 363
Related reactions
1 records
Compound notes
Loading…