3,5-Difluoro-4-carboxyphenylboronic acid - CAS 1029716-94-6
Catalog: |
BB067033 |
Product Name: |
3,5-Difluoro-4-carboxyphenylboronic acid |
CAS: |
1029716-94-6 |
Synonyms: |
4-Borono-2,6-difluorobenzoic acid; 3,5-Difluoro-4-carboxyphenylboronic acid; 4-Borono-2,6-difluorobenzoicacid; 4-(DIHYDROXYBORANYL)-2,6-DIFLUOROBENZOIC ACID |
IUPAC Name: | 4-borono-2,6-difluorobenzoic acid |
Description: | 3,5-Difluoro-4-carboxyphenylboronic acid |
Molecular Weight: | 201.92 |
Molecular Formula: | C7H5BF2O4 |
Canonical SMILES: | B(C1=CC(=C(C(=C1)F)C(=O)O)F)(O)O |
InChI: | InChI=1S/C7H5BF2O4/c9-4-1-3(8(13)14)2-5(10)6(4)7(11)12/h1-2,13-14H,(H,11,12) |
InChI Key: | AWIXNRNZROUJQB-UHFFFAOYSA-N |
Complexity: | 214 |
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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