2,3-Difluoro-4-piperidinophenylboronic acid - CAS 1443380-15-1
Catalog: |
BB067760 |
Product Name: |
2,3-Difluoro-4-piperidinophenylboronic acid |
CAS: |
1443380-15-1 |
Synonyms: |
2,3-Difluoro-4-piperidinophenylboronic acid; (2,3-difluoro-4-piperidin-1-ylphenyl)boronic acid; 2,3-Difluoro-4-piperidinophenylboronicacid |
IUPAC Name: | (2,3-difluoro-4-piperidin-1-ylphenyl)boronic acid |
Description: | 2,3-Difluoro-4-piperidinophenylboronic acid |
Molecular Weight: | 241.04 |
Molecular Formula: | C11H14BF2NO2 |
Canonical SMILES: | B(C1=C(C(=C(C=C1)N2CCCCC2)F)F)(O)O |
InChI: | InChI=1S/C11H14BF2NO2/c13-10-8(12(16)17)4-5-9(11(10)14)15-6-2-1-3-7-15/h4-5,16-17H,1-3,6-7H2 |
InChI Key: | XVHZOHDPQCQVDE-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.1085652 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.1085652 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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