| CAS Number | 943830-77-1 |
| Catalog Number | AG00II47(AGN-PC-0WOKTJ) |
| Chemical Name | 4-Bromo-2-fluoro-3-methoxyphenylboronic acid |
| IUPAC Name | (4-bromo-2-fluoro-3-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BBrFO3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3,11-12H,1H3 |
| InChI Key | LNJCQONZYKAVJA-UHFFFAOYSA-N |
| MDL Number | MFCD22573251 |
| Molecular Formula | C7H7BBrFO3 |
| Molecular Weight | 248.8421 |
| SMILES | OB(C1=CC=C(Br)C(OC)=C1F)O |
| Synonyms | 943830-77-1,
4-bromo-2-fluoro-3-methoxyphenylboronic acid,
(4-bromo-2-fluoro-3-methoxyphenyl)boronic acid,
SCHEMBL3840833,
LNJCQONZYKAVJA-UHFFFAOYSA-N,
KM3283,
AKOS025293552,
ZINC170002569,
FCH2259804,
PC412250,
V9423,
4-bromo-2-fluoro-3-methoxyphenyl boronic acid,
C7H7BBrFO3,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.842g/mol |
| Monoisotopic Mass | 247.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number