2-Propen-1-yl 4-bromobenzeneacetate
Basic information
- CAS
53603-13-7- Standard SMILES
C=CCOC(=O)Cc1ccc(Br)cc1- InChIKey
NKUDYFBDMLWJBC-UHFFFAOYSA-N- Molecular formula
- C11H11BrO2
- Average molar mass
- 255.11 g/mol
- Monoisotopic mass
- 253.99424
Names & identifiers
- Preferred name
- 2-Propen-1-yl 4-bromobenzeneacetate
- IUPAC
- prop-2-enyl 2-(4-bromophenyl)acetate
Names & synonyms
53603-13-7SCHEMBL5688510DTXSID2012931352-Propen-1-yl 4-bromobenzeneacetateProp-2-en-1-yl (4-bromophenyl)acetate
Database identifiers
- CAS
53603-13-7- PubChem CID
- 69531978
- DTXSID
DTXSID201293135- Nikkaji
- J3.018.175A
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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