| CAS Number | 677777-57-0 |
| Catalog Number | AG005PRS(AGN-PC-0AC0YX) |
| Chemical Name | 4-Bromo-2-fluoro-5-methylphenylboronic acid |
| IUPAC Name | (4-bromo-2-fluoro-5-methylphenyl)boronic acid |
| InChI | InChI=1S/C7H7BBrFO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3,11-12H,1H3 |
| InChI Key | IZFBYUHHOMKXAR-UHFFFAOYSA-N |
| MDL Number | MFCD20441808 |
| Molecular Formula | C7H7BBrFO2 |
| Molecular Weight | 232.8427 |
| SMILES | CC1=C(Br)C=C(F)C(B(O)O)=C1 |
| Synonyms | 677777-57-0,
(4-Bromo-2-fluoro-5-methylphenyl)boronic acid,
4-Bromo-2-fluoro-5-methylphenylboronic acid,
ACMC-209o0v,
CTK8B2148,
DTXSID60716579,
ANW-35405,
MFCD20441808,
AKOS015893135,
ZINC169746229,
FCH1602784,
PC412251,
AX8229991,
TC-124150,
ST24020534,
V7252,
B-8268,
I04-1774,
C7H7BBrFO2,
(4-Bromo-2-fluoro-5-methylphenyl)boronicacid,
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| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.843g/mol |
| Monoisotopic Mass | 231.971g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^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