Basic information
- Standard SMILES
COC(=O)c1ccc(Br)c(OC2CCCCO2)c1- InChIKey
SRCOYUDAZAKWHF-UHFFFAOYSA-N- Molecular formula
- C13H15BrO4
- Average molar mass
- 315.16 g/mol
- Monoisotopic mass
- 314.01537
Names & identifiers
- Preferred name
- Methyl 4-bromo-3-(tetrahydropyran-2-yloxy)benzoate
- IUPAC
- methyl 4-bromo-3-(oxan-2-yloxy)benzoate
Names & synonyms
870779-63-8Benzoic acid, 4-bromo-3-[(tetrahydro-2H-pyran-2-yl)oxy]-, methyl estermethyl 4-bromo-3-(tetrahydropyran-2-yloxy)benzoatemethyl 4-bromo-3-(oxan-2-yloxy)benzoateSCHEMBL2060107SCHEMBL29377172SRCOYUDAZAKWHF-UHFFFAOYSA-NMFCD26400006DB-319996methyl 4-bromo-3-tetrahydropyran-2-yloxy-benzoateA1-06522Methyl 4-bromo-3-(tetrahydro-2H-pyran-2-yloxy)benzoate
Database identifiers
- PubChem CID
- 16747841
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
6 records
Linked notes
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