4-Chloro-2-(N,N-dimethylaminomethyl)phenylboronic acid, pinacol ester - CAS 1384216-47-0
Catalog: |
BB062340 |
Product Name: |
4-Chloro-2-(N,N-dimethylaminomethyl)phenylboronic acid, pinacol ester |
CAS: |
1384216-47-0 |
Synonyms: |
4-Chloro-2-(N,N-dimethylaminomethyl)phenylboronic acid, pinacol ester; 1-(5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-N,N-dimethylmethanamine; 1-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine |
IUPAC Name: | 1-[5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-N,N-dimethylmethanamine |
Description: | 4-Chloro-2-(N,N-dimethylaminomethyl)phenylboronic acid, pinacol ester |
Molecular Weight: | 313.62 |
Molecular Formula: | C15H25BClNO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)CN(C)C |
InChI: | InChI=1S/C15H23BClNO2/c1-14(2)15(3,4)20-16(19-14)13-8-7-12(17)9-11(13)10-18(5)6/h7-9H,10H2,1-6H3 |
InChI Key: | YQQGIMWHFDQUNR-UHFFFAOYSA-N |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 295.1510368 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 295.1510368 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 21.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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