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Home > Boronic Acids > 2057416-43-8
2057416-43-8 | 1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[(1Z)-4-PHENYL-1-BUTEN-1-YL]-
CAS No: 2057416-43-8 Catalog No: AG01DSMM MDL No:
Product Description
Catalog Number:
AG01DSMM
Chemical Name:
1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[(1Z)-4-PHENYL-1-BUTEN-1-YL]-
CAS Number:
2057416-43-8
Molecular Formula:
C16H23BO2
Molecular Weight:
258.1636
IUPAC Name:
4,4,5,5-tetramethyl-2-(4-phenylbut-1-enyl)-1,3,2-dioxaborolane
InChI:
InChI=1S/C16H23BO2/c1-15(2)16(3,4)19-17(18-15)13-9-8-12-14-10-6-5-7-11-14/h5-7,9-11,13H,8,12H2,1-4H3
InChI Key:
XMYNGYPSTGHXEL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)C=CCCc1ccccc1
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.179g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.168g/mol
Monoisotopic Mass:
258.179g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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