3,5-Difluoro-4-methylphenylboronic acid - CAS 1621332-09-9
Catalog: |
BB055792 |
Product Name: |
3,5-Difluoro-4-methylphenylboronic acid |
CAS: |
1621332-09-9 |
Synonyms: |
3,5-Difluoro-4-methylphenylboronic acid; (3,5-Difluoro-4-methylphenyl)boronic acid; 3,5-Difluoro-4-methylphenylboronicacid |
IUPAC Name: | (3,5-difluoro-4-methylphenyl)boronic acid |
Description: | 3,5-Difluoro-4-methylphenylboronic acid |
Molecular Weight: | 171.94 |
Molecular Formula: | C7H7BF2O2 |
Canonical SMILES: | B(C1=CC(=C(C(=C1)F)C)F)(O)O |
InChI: | InChI=1S/C7H7BF2O2/c1-4-6(9)2-5(8(11)12)3-7(4)10/h2-3,11-12H,1H3 |
InChI Key: | PVWCCYIZIZXRFE-UHFFFAOYSA-N |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.050716 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.050716 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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