3-Bromo-6-chloro-2-fluorophenylboronic acid - CAS 1451393-00-2
Catalog: |
BB072239 |
Product Name: |
3-Bromo-6-chloro-2-fluorophenylboronic acid |
CAS: |
1451393-00-2 |
Synonyms: |
3-bromo-6-chloro-2-fluorophenylboronic acid; (3-Bromo-6-chloro-2-fluorophenyl)boronic acid |
IUPAC Name: | (3-bromo-6-chloro-2-fluorophenyl)boronic acid |
Description: | 3-Bromo-6-chloro-2-fluorophenylboronic acid is a useful research chemical. |
Molecular Weight: | 253.26 |
Molecular Formula: | C6H4BBrClFO2 |
Canonical SMILES: | B(C1=C(C=CC(=C1F)Br)Cl)(O)O |
InChI: | InChI=1S/C6H4BBrClFO2/c8-3-1-2-4(9)5(6(3)10)7(11)12/h1-2,11-12H |
InChI Key: | WMSQTXKBDIXIPN-UHFFFAOYSA-N |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 251.91603 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 251.91603 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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