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Home > Boronic Acids > 1879010-27-1
1879010-27-1 | 1,2-bis(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyne
CAS No: 1879010-27-1 Catalog No: AG00I1W3 MDL No:MFCD22124729
Product Description
Catalog Number:
AG00I1W3
Chemical Name:
1,2-bis(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyne
CAS Number:
1879010-27-1
Molecular Formula:
C26H32B2O4
Molecular Weight:
430.1519
MDL Number:
MFCD22124729
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-[2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C26H32B2O4/c1-23(2)24(3,4)30-27(29-23)21-13-9-11-19(17-21)15-16-20-12-10-14-22(18-20)28-31-25(5,6)26(7,8)32-28/h9-14,17-18H,1-8H3
InChI Key:
LCVADPGUUPIJJL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc(c1)C#Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
430.249g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
430.158g/mol
Monoisotopic Mass:
430.249g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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