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Home > Boronic Acids > 1448810-83-0
1448810-83-0 | 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 1448810-83-0 Catalog No: AG00AR39 MDL No:MFCD24449621
Product Description
Catalog Number:
AG00AR39
Chemical Name:
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1448810-83-0
Molecular Formula:
C15H20BNO2
Molecular Weight:
257.1358
MDL Number:
MFCD24449621
IUPAC Name:
3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C15H20BNO2/c1-10-7-12(9-17)8-11(2)13(10)16-18-14(3,4)15(5,6)19-16/h7-8H,1-6H3
InChI Key:
FGRAEAXDVWNAAY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C)c(c(c1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.159g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.14g/mol
Monoisotopic Mass:
257.159g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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