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Home > Boronic Acids > 863868-48-8
863868-48-8 | 2,6-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL) BENZONITRILE
CAS No: 863868-48-8 Catalog No: AG004RHP MDL No:
Product Description
Catalog Number:
AG004RHP
Chemical Name:
2,6-BIS(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-4-(TRIFLUOROMETHYL) BENZONITRILE
CAS Number:
863868-48-8
Molecular Formula:
C20H26B2F3NO4
Molecular Weight:
423.0419
IUPAC Name:
2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C20H26B2F3NO4/c1-16(2)17(3,4)28-21(27-16)14-9-12(20(23,24)25)10-15(13(14)11-26)22-29-18(5,6)19(7,8)30-22/h9-10H,1-8H3
InChI Key:
DPRFQOZBWORZFH-UHFFFAOYSA-N
SMILES:
N#Cc1c(cc(cc1B1OC(C(O1)(C)C)(C)C)C(F)(F)F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
653
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.2g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
423.046g/mol
Monoisotopic Mass:
423.2g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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