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Home > Boronic Acids > 942069-79-6
942069-79-6 | N,N-DIMETHYL-3-(PHENYLETHYNYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
CAS No: 942069-79-6 Catalog No: AG006OLS MDL No:
Product Description
Catalog Number:
AG006OLS
Chemical Name:
N,N-DIMETHYL-3-(PHENYLETHYNYL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)ANILINE
CAS Number:
942069-79-6
Molecular Formula:
C22H26BNO2
Molecular Weight:
347.2583
IUPAC Name:
N,N-dimethyl-3-(2-phenylethynyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
InChI:
InChI=1S/C22H26BNO2/c1-21(2)22(3,4)26-23(25-21)19-14-18(15-20(16-19)24(5)6)13-12-17-10-8-7-9-11-17/h7-11,14-16H,1-6H3
InChI Key:
FJANTBDTFIZSAT-UHFFFAOYSA-N
SMILES:
CN(c1cc(C#Cc2ccccc2)cc(c1)B1OC(C(O1)(C)C)(C)C)C
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.206g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.265g/mol
Monoisotopic Mass:
347.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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