3-Amino-2-fluorophenylboronic Acid Pinacol Ester - CAS 1231892-80-0
Catalog: |
BB074425 |
Product Name: |
3-Amino-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1231892-80-0 |
Synonyms: |
2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline; 3-Amino-2-fluorophenylboronic acid pinacol ester; (3-AMINO-2-FLUOROPHENYL)BORONIC ACID PINACOL ESTER |
IUPAC Name: | 2-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
Molecular Weight: | 237.08 |
Molecular Formula: | C12H17BFNO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=CC=C2)N)F |
InChI: | InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-6-5-7-9(15)10(8)14/h5-7H,15H2,1-4H3 |
InChI Key: | JQYPICYMRVGSCU-UHFFFAOYSA-N |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.1336371 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.1336371 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 44.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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