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Home > Boronic Acids > 1701449-79-7
1701449-79-7 | 2,3-Dimethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 1701449-79-7 Catalog No: AG00HZDK MDL No:MFCD24448812
Product Description
Catalog Number:
AG00HZDK
Chemical Name:
2,3-Dimethoxy-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1701449-79-7
Molecular Formula:
C15H20BNO4
Molecular Weight:
289.1346
MDL Number:
MFCD24448812
IUPAC Name:
2,3-dimethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C15H20BNO4/c1-14(2)15(3,4)21-16(20-14)11-7-10(9-17)13(19-6)12(8-11)18-5/h7-8H,1-6H3
InChI Key:
OCZSILJMMBKHNM-UHFFFAOYSA-N
SMILES:
COc1c(OC)cc(cc1C#N)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.149g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.138g/mol
Monoisotopic Mass:
289.149g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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