| CAS Number | 1309980-91-3 |
| Catalog Number | AG000V98(AGN-PC-0WNLBM) |
| Chemical Name | Boronic acid, B-(3-bromo-2-fluoro-6-methoxyphenyl)- |
| IUPAC Name | (3-bromo-2-fluoro-6-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BBrFO3/c1-13-5-3-2-4(9)7(10)6(5)8(11)12/h2-3,11-12H,1H3 |
| InChI Key | BBNKVONBBPZCIF-UHFFFAOYSA-N |
| MDL Number | MFCD12026725 |
| Molecular Formula | C7H7BBrFO3 |
| Molecular Weight | 248.8421 |
| SMILES | c1(ccc(c(c1F)B(O)O)OC)Br |
| Synonyms | 1309980-91-3,
(3-Bromo-2-fluoro-6-methoxyphenyl)boronic acid,
3-bromo-2-fluoro-6-methoxyphenylboronic acid,
2-Fluoro-3-bromo-6-methoxyphenylboronic acid,
MFCD12026725,
CTK7A1305,
DTXSID50659385,
AKOS015853312,
ZINC169748161,
EBD2326954,
FCH1409448,
AX8281424,
DB-022314,
TR-057620,
ST24034311,
Z0056,
Q-8160,
I04-0731,
Boronic acid, B-(3-bromo-2-fluoro-6-methoxyphenyl)-,
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