| CAS Number | 1451393-27-3 |
| Catalog Number | AG00AR52(AGN-PC-0WAMFH) |
| Chemical Name | 5-Bromo-3-chloro-2-fluorophenylboronic acid |
| IUPAC Name | (5-bromo-3-chloro-2-fluorophenyl)boronic acid |
| InChI | InChI=1S/C6H4BBrClFO2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,11-12H |
| InChI Key | JDUOEAUGCPUWHW-UHFFFAOYSA-N |
| MDL Number | MFCD12026726 |
| Molecular Formula | C6H4BBrClFO2 |
| Molecular Weight | 253.2612 |
| SMILES | BrC=1C=C(C(=C(C1)B(O)O)F)Cl |
| Synonyms | 5-Bromo-3-chloro-2-fluorophenylboronic acid,
1451393-27-3,
2-Fluoro-3-chloro-5-bromophenylboronic acid,
MFCD12026726,
CTK5I6195,
KS-00000TBQ,
AKOS015854240,
ZINC169902012,
DS-9874,
AK197149,
DB-029090,
TR-057623,
Z1548,
A-3336,
A-3931,
I04-0809,
C6H4BBrClFO2,
N/A,
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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