4-(Bromomethyl)naphthalene-1-boronic acid, pinacol ester - CAS 1422655-33-1
Catalog: |
BB062067 |
Product Name: |
4-(Bromomethyl)naphthalene-1-boronic acid, pinacol ester |
CAS: |
1422655-33-1 |
Synonyms: |
4-(Bromomethyl)naphthalene-1-boronic acid, pinacol ester; 2-(4-(Bromomethyl)naphthalen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[4-(BROMOMETHYL)NAPHTHALEN-1-YL]-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE |
IUPAC Name: | 2-[4-(bromomethyl)naphthalen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Molecular Weight: | 365.07 |
Molecular Formula: | C17H22BBrO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C3=CC=CC=C23)CBr |
InChI: | InChI=1S/C17H20BBrO2/c1-16(2)17(3,4)21-18(20-16)15-10-9-12(11-19)13-7-5-6-8-14(13)15/h5-10H,11H2,1-4H3 |
InChI Key: | YYPTWLZSCKVHCM-UHFFFAOYSA-N |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 346.07397 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 346.07397 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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