Basic information
- CAS
898789-98-5- Standard SMILES
O=C(c1ccc(Br)cc1)c1cccc(CN2CC=CC2)c1- InChIKey
HNNFZRZVUSIXLO-UHFFFAOYSA-N- Molecular formula
- C18H16BrNO
- Average molar mass
- 342.2 g/mol
- Monoisotopic mass
- 341.04153
Names & identifiers
- Preferred name
- (4-Bromophenyl)(3-((2,5-dihydro-1H-pyrrol-1-yl)methyl)phenyl)methanone
- IUPAC
- (4-bromophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanone
- English name
- 4'-BROMO-3-(3-PYRROLINOMETHYL) BENZOPHENONE
- Molecular formula
- C18H16BrNO
- Molecular weight
- 342.23
Names & synonyms
898789-98-5(4-Bromophenyl)(3-((2,5-dihydro-1H-pyrrol-1-yl)methyl)phenyl)methanone4'-bromo-3-(3-pyrrolinomethyl) benzophenoneMFCD03842361(4-bromophenyl)-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]methanoneDTXSID806434791-{[3-(4-bromobenzoyl)phenyl]methyl}-2,5-dihydro-1H-pyrrole(4-Bromophenyl){3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl}methanoneAKOS016020850Methanone, (4-bromophenyl)[3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl]-
Database identifiers
- CAS
898789-98-5- PubChem CID
- 24725083
- DTXSID
DTXSID80643479
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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