2-Cyano-5-fluorophenylboronic acid - CAS 1375109-01-5
Catalog: |
BB062622 |
Product Name: |
2-Cyano-5-fluorophenylboronic acid |
CAS: |
1375109-01-5 |
Synonyms: |
2-CYANO-5-FLUOROPHENYLBORONIC ACID; (2-Cyano-5-fluorophenyl)boronic acid; (2-Cyano-5-fluorophenyl)boronicacid; B-(2-Cyano-5-fluorophenyl)boronic acid |
IUPAC Name: | (2-cyano-5-fluorophenyl)boronic acid |
Description: | 2-Cyano-5-fluorophenylboronic acid |
Molecular Weight: | 164.93 |
Molecular Formula: | C7H5BFNO2 |
Canonical SMILES: | B(C1=C(C=CC(=C1)F)C#N)(O)O |
InChI: | InChI=1S/C7H5BFNO2/c9-6-2-1-5(4-10)7(3-6)8(11)12/h1-3,11-12H |
InChI Key: | CAMKHMHTUOCLPU-UHFFFAOYSA-N |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.0397367 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.0397367 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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