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(E)-4,4,5,5-tetramethyl-2-(2-(trifluoromethyl)styryl)-1,3,2-dioxaborolane - 95%, high purity , CAS No.1294009-25-8
Basic Description
Synonyms | 1294009-25-8 | (E)-4,4,5,5-tetramethyl-2-(2-(trifluoromethyl)styryl)-1,3,2-dioxaborolane | 4,4,5,5-TETRAMETHYL-2-[(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]ETHENYL]-1,3,2-DIOXABOROLANE | 2-Trifluoromethyl-trans-beta-styrylboronic acid pinacol ester | 1,3,2-Dioxaborolane, |
Specifications & Purity | ≥95% |
Shipped In | Normal |
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Names and Identifiers
IUPAC Name | 4,4,5,5-tetramethyl-2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1,3,2-dioxaborolane |
INCHI | InChI=1S/C15H18BF3O2/c1-13(2)14(3,4)21-16(20-13)10-9-11-7-5-6-8-12(11)15(17,18)19/h5-10H,1-4H3/b10-9+ |
InChi Key | AIZXRYDBPGYTGI-MDZDMXLPSA-N |
Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C=CC2=CC=CC=C2C(F)(F)F |
Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)/C=C/C2=CC=CC=C2C(F)(F)F |
PubChem CID | 72183429 |
Molecular Weight | 298.12 |
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Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight | 298.110 g/mol |
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XLogP3 | |
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Hydrogen Bond Donor Count | 0 |
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Hydrogen Bond Acceptor Count | 5 |
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Rotatable Bond Count | 2 |
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Exact Mass | 298.135 Da |
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Monoisotopic Mass | 298.135 Da |
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Topological Polar Surface Area | 18.500 Ų |
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Heavy Atom Count | 21 |
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Formal Charge | 0 |
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Complexity | 388.000 |
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Isotope Atom Count | 0 |
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Defined Atom Stereocenter Count | 0 |
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Undefined Atom Stereocenter Count | 0 |
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Defined Bond Stereocenter Count | 1 |
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Undefined Bond Stereocenter Count | 0 |
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The total count of all stereochemical bonds | 1 |
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Covalently-Bonded Unit Count | 1 |
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