3-Fluoro-2-pivalamidophenylboronic Acid - CAS 676540-80-0
Catalog: |
BB033364 |
Product Name: |
3-Fluoro-2-pivalamidophenylboronic Acid |
CAS: |
676540-80-0 |
Synonyms: |
[2-[(2,2-dimethyl-1-oxopropyl)amino]-3-fluorophenyl]boronic acid; [2-(2,2-dimethylpropanoylamino)-3-fluorophenyl]boronic acid |
IUPAC Name: | [2-(2,2-dimethylpropanoylamino)-3-fluorophenyl]boronic acid |
Description: | 3-Fluoro-2-pivalamidophenylboronic Acid (CAS# 676540-80-0 ) is a useful research chemical. |
Molecular Weight: | 239.05 |
Molecular Formula: | C11H15FNO3B |
Canonical SMILES: | B(C1=C(C(=CC=C1)F)NC(=O)C(C)(C)C)(O)O |
InChI: | InChI=1S/C11H15BFNO3/c1-11(2,3)10(15)14-9-7(12(16)17)5-4-6-8(9)13/h4-6,16-17H,1-3H3,(H,14,15) |
InChI Key: | YZHOXJTXUSJJTD-UHFFFAOYSA-N |
LogP: | 0.56310 |
Complexity: | 280 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.1129017 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.1129017 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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