4-(1,1-Dimethyl-1-methoxycarbonyl)methylphenylboronic acid pinacol ester - CAS 890839-10-8
Catalog: |
BB066930 |
Product Name: |
4-(1,1-Dimethyl-1-methoxycarbonyl)methylphenylboronic acid pinacol ester |
CAS: |
890839-10-8 |
Synonyms: |
Methyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)propanoate; methyl 2-methyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate; methyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate; 4-(1,1-Dimethyl-1-methoxycarbonyl)methylphenylboronic acid pinacol ester |
IUPAC Name: | methyl 2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoate |
Description: | 4-(1,1-Dimethyl-1-methoxycarbonyl)methylphenylboronic acid pinacol ester |
Molecular Weight: | 304.19 |
Molecular Formula: | C17H25BO4 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(C)C(=O)OC |
InChI: | InChI=1S/C17H25BO4/c1-15(2,14(19)20-7)12-8-10-13(11-9-12)18-21-16(3,4)17(5,6)22-18/h8-11H,1-7H3 |
InChI Key: | RAGWTXRTMGSMRC-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 406 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 304.1845894 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 304.1845894 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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