5-Bromo-8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Basic information
- CAS
93349-90-7- Standard SMILES
COc1ccc(Br)c2c1CC(C(=O)O)CC2- InChIKey
SHWPEYMQAQIQFK-UHFFFAOYSA-N- Molecular formula
- C12H13BrO3
- Average molar mass
- 285.13 g/mol
- Monoisotopic mass
- 284.00481
Names & identifiers
- Preferred name
- 5-Bromo-8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
- IUPAC
- 5-bromo-8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
Names & synonyms
NSC64713793349-90-75-bromo-8-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid5-Bromo-8-methoxy-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acidNSC-647137CHEMBL1974107MFCD12787286NCI60_016336SY5055475-bromo-8-methoxy-tetralin-2-carboxylic acid2-Naphthalenecarboxylic acid,2,3,4-tetrahydro-8-methoxy-
Database identifiers
- CAS
93349-90-7- PubChem CID
- 372187
- ChEMBL
CHEMBL1974107
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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