2-Bromo-1-(cyclopropylmethoxy)-4-(ethylsulfonyl)benzene
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Basic information
- Standard SMILES
CCS(=O)(=O)c1ccc(OCC2CC2)c(Br)c1- InChIKey
YTZXERMKKPPPDG-UHFFFAOYSA-N- Molecular formula
- C12H15BrO3S
- Average molar mass
- 319.22 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-1-(cyclopropylmethoxy)-4-(ethylsulfonyl)benzene
- IUPAC
- 2-bromo-1-(cyclopropylmethoxy)-4-ethylsulfonylbenzene
Names & synonyms
2-Bromo-1-(cyclopropylmethoxy)-4-(ethylsulfonyl)benzene1446236-90-3SCHEMBL15067678YTZXERMKKPPPDG-UHFFFAOYSA-NDB-1638682-bromo-1-(cyclopropylmethoxy)-4-ethylsulfonylbenzene2-bromo-1-(cyclopropylmethoxy)-4-(ethanesulfonyl)benzene
Database identifiers
- PubChem CID
- 89656148
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Related reactions
4 records
Compound notes
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