2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-YL acetate
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Basic information
- CAS
872857-72-2- Standard SMILES
COc1ccc2c(c1)CCC(Br)=C2OC(C)=O- InChIKey
QBPNUAACMXSMNN-UHFFFAOYSA-N- Molecular formula
- C13H13BrO3
- Average molar mass
- 297.14 g/mol
- Monoisotopic mass
- 296.00481
Names & identifiers
- Preferred name
- 2-Bromo-6-methoxy-3,4-dihydronaphthalen-1-YL acetate
- IUPAC
- (2-bromo-6-methoxy-3,4-dihydronaphthalen-1-yl) acetate
- English name
- 2-bromo-6-methoxy-3,4-dihydronaphthalen-1-yl acetate
- Molecular formula
- C13H13BrO3
- Molecular weight
- 297.14452
Names & synonyms
872857-72-2SCHEMBL903638DTXSID40700077QBPNUAACMXSMNN-UHFFFAOYSA-N2-BROMO-6-METHOXY-3,4-DIHYDRONAPHTHALEN-1-YL ACETATEACETIC ACID 2-BROMO-6-METHOXY-3,4-DIHYDRO-NAPHTHALEN-1-YL ESTER
Database identifiers
- CAS
872857-72-2- PubChem CID
- 53429162
- DTXSID
DTXSID40700077
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
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Compound notes
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