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Home > Boronic Acids > 1220696-48-9
1220696-48-9 | 2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS No: 1220696-48-9 Catalog No: AG00HGMA MDL No:MFCD18383770
Product Description
Catalog Number:
AG00HGMA
Chemical Name:
2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
CAS Number:
1220696-48-9
Molecular Formula:
C16H20BNO2
Molecular Weight:
269.1465
MDL Number:
MFCD18383770
IUPAC Name:
2-cyclopropyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)13-7-8-14(11-5-6-11)12(9-13)10-18/h7-9,11H,5-6H2,1-4H3
InChI Key:
ZNBNBIZVDMQDBB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1C1CC1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.159g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.151g/mol
Monoisotopic Mass:
269.159g/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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