| CAS Number | 345891-28-3 |
| Catalog Number | AG00D53Z(AGN-PC-00PKQ2) |
| Chemical Name | Methyl 5-bromo-2-methylfuran-3-carboxylate |
| IUPAC Name | methyl 5-bromo-2-methylfuran-3-carboxylate |
| InChI | InChI=1S/C7H7BrO3/c1-4-5(7(9)10-2)3-6(8)11-4/h3H,1-2H3 |
| InChI Key | HQEFZABRNVWGBR-UHFFFAOYSA-N |
| MDL Number | MFCD09028427 |
| Molecular Formula | C7H7BrO3 |
| Molecular Weight | 219.0327 |
| SMILES | O=C(C1=C(C)OC(Br)=C1)OC |
| Synonyms | Methyl 5-bromo-2-methylfuran-3-carboxylate,
345891-28-3,
3-Furancarboxylic acid, 5-bromo-2-methyl-, methyl ester,
SCHEMBL1598651,
DTXSID70573791,
HQEFZABRNVWGBR-UHFFFAOYSA-N,
methyl 5-bromo-2-methyl-3-furoate,
ZINC34579084,
AKOS015899193,
AJ-89463,
methyl 5-bromo-2-methyl-3-furancarboxylate,
2-Methyl-5-bromofuran-3-carboxylic acid methyl ester,
5-bromo-2-methyl-furan-3-carboxylic acid methyl ester,
I14-12138,
Methyl5-bromo-2-methylfuran-3-carboxylate,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.034g/mol |
| Monoisotopic Mass | 217.958g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number