4-Fluoro-3-methylphenylboronic Acid Pinacol Ester - CAS 1001200-60-7
Catalog: |
BB063443 |
Product Name: |
4-Fluoro-3-methylphenylboronic Acid Pinacol Ester |
CAS: |
1001200-60-7 |
Synonyms: |
2-(4-Fluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Fluoro-3-methylphenylboronic acid, pinacol ester; 4-Fluoro-3-methylphenylboronic acid pinacol ester |
IUPAC Name: | 2-(4-fluoro-3-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Molecular Weight: | 236.09 |
Molecular Formula: | C13H18BFO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)F)C |
InChI: | InChI=1S/C13H18BFO2/c1-9-8-10(6-7-11(9)15)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3 |
InChI Key: | UNTVLIKQVDPHFS-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.1383881 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.1383881 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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