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Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(Br)ccc1C(=O)OCc1ccccc1- InChIKey
JTYGBSVTDIUXIW-UHFFFAOYSA-N- Molecular formula
- C17H18BrNO4
- Average molar mass
- 380.2 g/mol
- Monoisotopic mass
- 379.04192
Names & identifiers
- Preferred name
- 2-Benzyl 1-t-butyl 5-bromo-1H-pyrrole-1,2-dicarboxylate
- IUPAC
- 2-O-benzyl 1-O-tert-butyl 5-bromopyrrole-1,2-dicarboxylate
Names & synonyms
SCHEMBL427684JTYGBSVTDIUXIW-UHFFFAOYSA-NDB-3724722-Benzyl 1-t-butyl 5-bromo-1H-pyrrole-1,2-dicarboxylate1-(1,1-Dimethylethyl) 2-(phenylmethyl) 5-bromo-1H-pyrrole-1,2-dicarboxylate1177420-69-7
Database identifiers
- PubChem CID
- 66683083
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Related reactions
9 records
Compound notes
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