Methyl 3-bromo-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
Basic information
- CAS
1399654-55-7- Standard SMILES
COC(=O)c1cc2oc(C)c(Br)c2[nH]1- InChIKey
HNLFQJLTGBTUFL-UHFFFAOYSA-N- Molecular formula
- C9H8BrNO3
- Average molar mass
- 258.07 g/mol
- Monoisotopic mass
- 256.96876
Names & identifiers
- Preferred name
- Methyl 3-bromo-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
- IUPAC
- methyl 3-bromo-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate
Names & synonyms
DTXSID401150210Methyl 3-bromo-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylate4H-Furo[3,2-b]pyrrole-5-carboxylic acid, 3-bromo-2-methyl-, methyl ester1399654-55-7
Database identifiers
- CAS
1399654-55-7- PubChem CID
- 97034402
- DTXSID
DTXSID401150210
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 55.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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