| CAS Number | 1451392-87-2 |
| Catalog Number | AG00ASK6(AGN-PC-0WALQF) |
| Chemical Name | 6-Bromo-3-chloro-2-fluorophenylboronic acid |
| IUPAC Name | (6-bromo-3-chloro-2-fluorophenyl)boronic acid |
| InChI | InChI=1S/C6H4BBrClFO2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2,11-12H |
| InChI Key | RQWDCSBDDYTXMA-UHFFFAOYSA-N |
| MDL Number | MFCD11111906 |
| Molecular Formula | C6H4BBrClFO2 |
| Molecular Weight | 253.2612 |
| SMILES | OB(C1=C(Br)C=CC(Cl)=C1F)O |
| Synonyms | 6-Bromo-3-chloro-2-fluorophenylboronic acid,
1451392-87-2,
2-Fluoro-3-chloro-6-bromophenylboronic acid,
6-Bromo-3-chloro-2-fluorobenzeneboronic acid,
CTK7I2559,
MFCD11111906,
AKOS015853345,
ZINC169807031,
FCH1402835,
PC48528,
PS-9661,
BC001770,
TR-057624,
Z1580,
Q-8764,
I04-0830,
C6H4BBrClFO2,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.916g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.258g/mol |
| Monoisotopic Mass | 251.916g/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