| CAS Number | 2096330-22-0 |
| Catalog Number | AG01EHOA |
| Chemical Name | 2-Bromo-6-fluoro-4-(methoxycarbonyl)phenylboronic acid |
| IUPAC Name | (2-bromo-6-fluoro-4-methoxycarbonylphenyl)boronic acid |
| InChI | InChI=1S/C8H7BBrFO4/c1-15-8(12)4-2-5(10)7(9(13)14)6(11)3-4/h2-3,13-14H,1H3 |
| InChI Key | YWSIGAOWJKBNEA-UHFFFAOYSA-N |
| MDL Number | MFCD18087695 |
| Molecular Formula | C8H7BBrFO4 |
| Molecular Weight | 276.8522 |
| SMILES | COC(=O)c1cc(F)c(c(c1)Br)B(O)O |
| Synonyms | 2-BROMO-6-FLUORO-4-(METHOXYCARBONYL)PHENYLBORONIC ACID,
2096330-22-0,
(2-Bromo-6-fluoro-4-(methoxycarbonyl)phenyl)boronic acid,
MFCD18087695,
ZINC169934730,
Y2269,
A-4649,
C8H7BBrFO4,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.852g/mol |
| Monoisotopic Mass | 275.96g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number