3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide - CAS 957346-54-2
Catalog: |
BB064843 |
Product Name: |
3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
CAS: |
957346-54-2 |
Synonyms: |
3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide; 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
IUPAC Name: | 3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
Description: | 3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide |
Molecular Weight: | 265.09 |
Molecular Formula: | C13H17BFNO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C(=O)N)F |
InChI: | InChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)9-6-5-8(11(16)17)7-10(9)15/h5-7H,1-4H3,(H2,16,17) |
InChI Key: | UKBHJXNAIHHVEH-UHFFFAOYSA-N |
Complexity: | 359 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.1285517 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.1285517 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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