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Home > Boronic Acids > 848953-05-9
848953-05-9 | BENZONITRILE, 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
CAS No: 848953-05-9 Catalog No: AG0036F9 MDL No:MFCD18729899
Product Description
Catalog Number:
AG0036F9
Chemical Name:
BENZONITRILE, 3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
CAS Number:
848953-05-9
Molecular Formula:
C14H18BNO2
Molecular Weight:
243.1092
MDL Number:
MFCD18729899
IUPAC Name:
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C14H18BNO2/c1-10-8-11(9-16)6-7-12(10)15-17-13(2,3)14(4,5)18-15/h6-8H,1-5H3
InChI Key:
HHMQXEPAUAWWKE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.143g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.113g/mol
Monoisotopic Mass:
243.143g/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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