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1082066-30-5 | 2-Methyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile
CAS No: 1082066-30-5 Catalog No: AG0091M0 MDL No:MFCD19689513
Product Description
Catalog Number:
AG0091M0
Chemical Name:
2-Methyl-2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-propionitrile
CAS Number:
1082066-30-5
Molecular Formula:
C16H22BNO2
Molecular Weight:
271.1624
MDL Number:
MFCD19689513
IUPAC Name:
2-methyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanenitrile
InChI:
InChI=1S/C16H22BNO2/c1-14(2,11-18)12-7-9-13(10-8-12)17-19-15(3,4)16(5,6)20-17/h7-10H,1-6H3
InChI Key:
XJOJSFBFKRCJTK-UHFFFAOYSA-N
SMILES:
N#CC(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)(C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.174g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.167g/mol
Monoisotopic Mass:
271.174g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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