4-(Boc-amino)-2-fluorophenylboronic Acid - CAS 1415960-56-3
Catalog: |
BB061852 |
Product Name: |
4-(Boc-amino)-2-fluorophenylboronic Acid |
CAS: |
1415960-56-3 |
Synonyms: |
(4-((tert-Butoxycarbonyl)amino)-2-fluorophenyl)boronic acid; 4-(BOC-Amino)-2-fluorophenylboronic acid; [2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
IUPAC Name: | [2-fluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]boronic acid |
Molecular Weight: | 255.05 |
Molecular Formula: | C11H15BFNO4 |
Canonical SMILES: | B(C1=C(C=C(C=C1)NC(=O)OC(C)(C)C)F)(O)O |
InChI: | InChI=1S/C11H15BFNO4/c1-11(2,3)18-10(15)14-7-4-5-8(12(16)17)9(13)6-7/h4-6,16-17H,1-3H3,(H,14,15) |
InChI Key: | DAISURXDKVZMGH-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.1078163 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.1078163 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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