Basic information
- CAS
2528-02-1- Standard SMILES
COC(=O)c1cc(Br)c(C)o1- InChIKey
QGASQHKSMLFONE-UHFFFAOYSA-N- Molecular formula
- C7H7BrO3
- Average molar mass
- 219.03 g/mol
- Monoisotopic mass
- 217.95785618
Names & identifiers
- Preferred name
- Methyl 4-bromo-5-methylfuran-2-carboxylate
- IUPAC
- methyl 4-bromo-5-methylfuran-2-carboxylate
- English name
- 5-Methyl-4-bromo-2-furancarboxylic acid methyl ester
- Molecular formula
- C7H7BrO3
- Molecular weight
- 219.03
Names & synonyms
methyl 4-bromo-5-methylfuran-2-carboxylate2528-02-1DTXSID80345446RefChem:355634DTXCID702965195-Methyl-4-bromo-2-furancarboxylic acid methyl ester4-Bromo-5-methyl-2-furancarboxylic acid methyl esterSCHEMBL1198612Methyl 4-bromo-5-methyl-2-furoate #DB-138360methyl 4-bromo-5-methyl-2-furancarboxylateH77882
Show more names
4-Bromo-5-methyl-2-furoic acid methyl2-Furancarboxylic acid, 4-bromo-5-methyl-, methyl ester
2-Furoic acid, 4-bromo-5-methyl-, methyl ester4-Bromo-5-methyl-furan-2-carboxylic acid methyl ester
Database identifiers
- CAS
2528-02-1- PubChem CID
- 604544
- DTXSID
DTXSID80345446- Nikkaji
- J105.414G
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Chemistry & industry
Suppliers2 total
安徽合诺生物科技有限公司0555-2761852
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
34 records
Compound notes
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