3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole
Basic information
- CAS
731826-97-4- Standard SMILES
O=[N+]([O-])CC(c1ccc(Br)cc1)c1c[nH]c2ccccc12- InChIKey
WBEZFUUESLEDAL-UHFFFAOYSA-N- Molecular formula
- C16H13BrN2O2
- Average molar mass
- 345.19 g/mol
- Monoisotopic mass
- 344.01604
Names & identifiers
- Preferred name
- 3-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indole
- IUPAC
- 3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole
Names & synonyms
3-[1-(4-bromophenyl)-2-nitroethyl]-1H-indole731826-97-43-(1-(4-Bromophenyl)-2-nitroethyl)-1H-indoleRefChem:2731591H-Indole, 3-[1-(4-bromophenyl)-2-nitroethyl]-SCHEMBL31026323DTXSID701257095AKOS034468052EN300-17551G45142Z56955942
Database identifiers
- CAS
731826-97-4- PubChem CID
- 3972277
- DTXSID
DTXSID701257095- Nikkaji
- J2.924.525H
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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