Basic information
- Standard SMILES
COCc1cc(-c2c(S(C)(=O)=O)ccc(C(=O)OC)c2Cl)no1- InChIKey
BLSMDHOEUYTZTP-UHFFFAOYSA-N- Molecular formula
- C14H14ClNO6S
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.023036
Names & identifiers
- Preferred name
- Methyl 2-chloro-3-(5-methoxymethylisoxazol-3-yl)-4-methylsulfonylbenzoate
- IUPAC
- methyl 2-chloro-3-[5-(methoxymethyl)-1,2-oxazol-3-yl]-4-methylsulfonylbenzoate
Names & synonyms
SCHEMBL7490016BLSMDHOEUYTZTP-UHFFFAOYSA-Nmethyl 2-chloro-3-(5-methoxymethylisoxazol-3-yl)-4-methylsulfonylbenzoate
Database identifiers
- PubChem CID
- 22009882
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 522
Related reactions
2 records
Compound notes
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