Basic information
- CAS
475986-16-4- Standard SMILES
Cc1c(Br)[nH]c(C=O)c1CCC(=O)O- InChIKey
VCBHEPGBYOJYIY-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO3
- Average molar mass
- 260.08 g/mol
- Monoisotopic mass
- 258.98441
Names & identifiers
- Preferred name
- 5-Bromo-2-formyl-4-methyl-1H-pyrrole-3-propanoic acid
- IUPAC
- 3-(5-bromo-2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid
Names & synonyms
5-Bromo-2-formyl-4-methyl-1H-pyrrole-3-propanoic acidSCHEMBL14560303DTXSID901214867475986-16-43-(5-Bromo-2-formyl-4-methyl-1H-pyrrol-3-yl)propanoic acid
Database identifiers
- CAS
475986-16-4- PubChem CID
- 20613636
- DTXSID
DTXSID901214867
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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