Basic information
- CAS
99304-35-5- Standard SMILES
CCCC(=O)OC1C(=O)N(C(=O)CCC)c2ccc(Br)cc21- InChIKey
VKLDRHIHUFBZQW-UHFFFAOYSA-N- Molecular formula
- C16H18BrNO4
- Average molar mass
- 368.22 g/mol
- Monoisotopic mass
- 367.04192
Names & identifiers
- Preferred name
- 5-Bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoate
- IUPAC
- (5-bromo-1-butanoyl-2-oxo-3H-indol-3-yl) butanoate
Names & synonyms
99304-35-5DTXSID509127605-bromo-1-butanoyl-2-oxo-2,3-dihydro-1H-indol-3-yl butanoateRefChem:1072694DTXCID501341775BRN 55986415-Bromo-N,O-dibutyryldioxindoleBUTANOIC ACID, 5-BROMO-2,3-DIHYDRO-2-OXO-1-(1-OXOBUTYL)-1H-INDOL-3-YL ESTER
Database identifiers
- CAS
99304-35-5- PubChem CID
- 57495
- DTXSID
DTXSID50912760
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 453
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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