3-Bromo-4-methoxy-2,5,6-trimethylphenyl acetate
Basic information
- CAS
18910-36-6- Standard SMILES
COc1c(C)c(C)c(OC(C)=O)c(C)c1Br- InChIKey
OYFWPBHGTMHIDB-UHFFFAOYSA-N- Molecular formula
- C12H15BrO3
- Average molar mass
- 287.15 g/mol
- Monoisotopic mass
- 286.02046
Names & identifiers
- Preferred name
- 3-Bromo-4-methoxy-2,5,6-trimethylphenyl acetate
- IUPAC
- (3-bromo-4-methoxy-2,5,6-trimethylphenyl) acetate
Names & synonyms
18910-36-6NSC1684953-bromo-4-methoxy-2,5,6-trimethylphenyl acetateDTXSID80304952NSC-168495
Database identifiers
- CAS
18910-36-6- PubChem CID
- 297367
- DTXSID
DTXSID80304952
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 257
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Related reactions
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Compound notes
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