Indole, 3-bromoacetyl-5-(dimethylamino)-
Basic information
- CAS
6851-69-0- Standard SMILES
CN(C)c1ccc2[nH]cc(C(=O)CBr)c2c1- InChIKey
OOYNNWHPLINKIW-UHFFFAOYSA-N- Molecular formula
- C12H13BrN2O
- Average molar mass
- 281.15 g/mol
- Monoisotopic mass
- 280.02113
Names & identifiers
- Preferred name
- Indole, 3-bromoacetyl-5-(dimethylamino)-
- IUPAC
- 2-bromo-1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
Names & synonyms
6851-69-0BRN 0398180INDOLE, 3-BROMOACETYL-5-(DIMETHYLAMINO)-5-(Dimethylamino)-3-bromoacetylindoleDTXSID80218641RefChem:349259DTXCID301411322-Bromo-1-[5-(dimethylamino)-1H-indol-3-yl]ethan-1-one
Database identifiers
- CAS
6851-69-0- PubChem CID
- 23289
- DTXSID
DTXSID80218641
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 36.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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