(2,5-Dichloro-3-thienyl)(2,6-dimethoxyphenyl)methanone
Basic information
- CAS
1097826-78-2- Standard SMILES
COc1cccc(OC)c1C(=O)c1cc(Cl)sc1Cl- InChIKey
BXYFBCHRGVXBKD-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2O3S
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 315.9727707
Names & identifiers
- Preferred name
- (2,5-Dichloro-3-thienyl)(2,6-dimethoxyphenyl)methanone
- IUPAC
- (2,5-dichlorothiophen-3-yl)-(2,6-dimethoxyphenyl)methanone
Names & synonyms
(2,5-Dichloro-3-thienyl)(2,6-dimethoxyphenyl)methanoneDTXSID8012107791097826-78-2(2,5-Dichlorothiophen-3-yl)(2,6-dimethoxyphenyl)methanone
Database identifiers
- CAS
1097826-78-2- PubChem CID
- 43344751
- DTXSID
DTXSID801210779
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
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Compound notes
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