3-Carboxy-2,4-difluorophenylboronic acid - CAS 1451393-05-7
Catalog: |
BB070612 |
Product Name: |
3-Carboxy-2,4-difluorophenylboronic acid |
CAS: |
1451393-05-7 |
Synonyms: |
3-(Dihydroxyboranyl)-2,6-difluorobenzoic acid |
IUPAC Name: | 3-borono-2,6-difluorobenzoic acid |
Description: | 3-Carboxy-2,4-difluorophenylboronic acid is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 201.92 |
Molecular Formula: | C7H5BF2O4 |
Canonical SMILES: | B(C1=C(C(=C(C=C1)F)C(=O)O)F)(O)O |
InChI: | InChI=1S/C7H5BF2O4/c9-4-2-1-3(8(13)14)6(10)5(4)7(11)12/h1-2,13-14H,(H,11,12) |
InChI Key: | YKUGBPFCJTZDIQ-UHFFFAOYSA-N |
References: | Demmer, C. S., et al.; ACS Chem. Neurosci., 8, 2477 (2017). |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.0248951 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.0248951 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 77.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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