Basic information
- Standard SMILES
Cc1c(Br)ccc(S(=O)(=O)Cl)c1C1=NOCC1- InChIKey
SMXHZTOAOGFHJJ-UHFFFAOYSA-N- Molecular formula
- C10H9BrClNO3S
- Average molar mass
- 338.61 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-(4,5-dihydroisoxazol-3-yl)-3-methylbenzenesulfonyl chloride
- IUPAC
- 4-bromo-2-(4,5-dihydro-1,2-oxazol-3-yl)-3-methylbenzenesulfonyl chloride
Names & synonyms
SCHEMBL700999SMXHZTOAOGFHJJ-UHFFFAOYSA-N4-bromo-2-(4,5-dihydroisoxazol-3-yl)-3-methyl-benzenesulfonyl Chloride4-bromo-2-(4,5-dihydroisoxazol-3-yl)-3-methylbenzenesulfonyl chloride
Database identifiers
- PubChem CID
- 18757253
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 420
Related reactions
10 records
Linked notes
Loading…