Basic information
- CAS
1282710-00-2- Standard SMILES
O=C(Cc1cccc(Br)c1)N1CCCC1CCCO- InChIKey
NQVMJJHXGVFVTP-UHFFFAOYSA-N- Molecular formula
- C15H20BrNO2
- Average molar mass
- 326.23 g/mol
- Monoisotopic mass
- 325.06774
Names & identifiers
- Preferred name
- 2-(3-Bromophenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethan-1-one
- IUPAC
- 2-(3-bromophenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
Names & synonyms
DTXSID701162309AKOS0117560282-(3-Bromophenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethan-1-oneEthanone, 2-(3-bromophenyl)-1-[2-(3-hydroxypropyl)-1-pyrrolidinyl]-1282710-00-2
Database identifiers
- CAS
1282710-00-2- PubChem CID
- 62467754
- DTXSID
DTXSID701162309
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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