Basic information
- CAS
6938-21-2- Standard SMILES
COc1cc(OC)c(C(=O)CCl)c(O)c1OC- InChIKey
SGCKTGAQKXRWBL-UHFFFAOYSA-N- Molecular formula
- C11H13ClO5
- Average molar mass
- 260.67 g/mol
- Monoisotopic mass
- 260.0451512
Names & identifiers
- Preferred name
- 2-Chloro-1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone
- IUPAC
- 2-chloro-1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanone
Names & synonyms
6938-21-22-chloro-1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethanoneNSC53930DTXSID00288048NSC-53930DS-0152232-Chloro-1-(2-hydroxy-3,4,6-trimethoxyphenyl)ethan-1-one4-methoxy-N-[4-(4-methoxyphenyl)sulfonyliminonaphthalen-1-ylidene]benzenesulfonamide
Database identifiers
- CAS
6938-21-2- PubChem CID
- 243768
- DTXSID
DTXSID00288048
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 260
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…