3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester
Basic information
- CAS
56656-97-4- Standard SMILES
COC(=O)C(C#N)=Cc1ccc(Br)o1- InChIKey
SEPZDRVJHMRNPK-UHFFFAOYSA-N- Molecular formula
- C9H6BrNO3
- Average molar mass
- 256.05 g/mol
- Monoisotopic mass
- 254.95311
Names & identifiers
- Preferred name
- 3-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester
- IUPAC
- methyl 3-(5-bromofuran-2-yl)-2-cyanoprop-2-enoate
Names & synonyms
DTXSID901031798DB-2283633-(5-Bromo-2-furyl)-2-cyano-prop-2-enoic acid methyl ester
Database identifiers
- CAS
56656-97-4- PubChem CID
- 92483
- DTXSID
DTXSID901031798
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 304
Experimental & physicochemical properties
LogP2.41
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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