Basic information
- CAS
53871-97-9- Standard SMILES
CC(Br)C(=O)c1c2ccccc2cc2ccccc12- InChIKey
IMXAXSZYWCYYJK-UHFFFAOYSA-N- Molecular formula
- C17H13BrO
- Average molar mass
- 313.2 g/mol
- Monoisotopic mass
- 312.01498
Names & identifiers
- Preferred name
- 1-(Anthracen-9-YL)-2-bromopropan-1-one
- IUPAC
- 1-anthracen-9-yl-2-bromopropan-1-one
Names & synonyms
53871-97-91-(ANTHRACEN-9-YL)-2-BROMOPROPAN-1-ONEDTXSID30566301
Database identifiers
- CAS
53871-97-9- PubChem CID
- 14972769
- DTXSID
DTXSID30566301
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 318
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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