4-Fluoro-3-formyl-5-methylphenylboronic acid - CAS 1310384-23-6
Catalog: |
BB065229 |
Product Name: |
4-Fluoro-3-formyl-5-methylphenylboronic acid |
CAS: |
1310384-23-6 |
Synonyms: |
4-FLUORO-3-FORMYL-5-METHYLPHENYLBORONIC ACID; (4-Fluoro-3-formyl-5-methylphenyl)boronic acid |
IUPAC Name: | (4-fluoro-3-formyl-5-methylphenyl)boronic acid |
Description: | 4-Fluoro-3-formyl-5-methylphenylboronic acid |
Molecular Weight: | 181.96 |
Molecular Formula: | C8H8BFO3 |
Canonical SMILES: | B(C1=CC(=C(C(=C1)C=O)F)C)(O)O |
InChI: | InChI=1S/C8H8BFO3/c1-5-2-7(9(12)13)3-6(4-11)8(5)10/h2-4,12-13H,1H3 |
InChI Key: | CYTRJUULLDUDAX-UHFFFAOYSA-N |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0550524 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0550524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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