Basic information
- Standard SMILES
Cc1c(C(=O)Cl)ccc(S(C)(=O)=O)c1C1=NOCC1- InChIKey
NQSNZVWJOPFLDF-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO4S
- Average molar mass
- 301.75 g/mol
Names & identifiers
- Preferred name
- 3-(4,5-Dihydroisoxazol-3-yl)-4-methylsulfonyl-2-methylbenzoyl chloride
- IUPAC
- 3-(4,5-dihydro-1,2-oxazol-3-yl)-2-methyl-4-methylsulfonylbenzoyl chloride
Names & synonyms
SCHEMBL4703228SCHEMBL30608210NQSNZVWJOPFLDF-UHFFFAOYSA-N3-(4,5-dihydroisoxazol-3-yl)-4-methylsulfonyl-2-methylbenzoyl chloride
Database identifiers
- PubChem CID
- 11255083
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 496
Related reactions
5 records
Compound notes
Loading…