3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester - CAS 1402238-26-9
Catalog: |
BB069436 |
Product Name: |
3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester |
CAS: |
1402238-26-9 |
Synonyms: |
2-(3-CHLORO-4-FLUORO-5-METHYLPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE; 3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester |
IUPAC Name: | 2-(3-chloro-4-fluoro-5-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 3-Chloro-4-fluoro-5-methylphenylboronic acid, pinacol ester is a useful research chemical. |
Molecular Weight: | 288.55 |
Molecular Formula: | C13H19BClFO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C(=C2)Cl)F)C |
InChI: | InChI=1S/C13H17BClFO2/c1-8-6-9(7-10(15)11(8)16)14-17-12(2,3)13(4,5)18-14/h6-7H,1-5H3 |
InChI Key: | SQMNTCNOVKTKEY-UHFFFAOYSA-N |
Complexity: | 308 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.0994158 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.0994158 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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