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Home > Boronic Acids > 1206641-31-7
1206641-31-7 | 1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarbonitrile
CAS No: 1206641-31-7 Catalog No: AG0093LB MDL No:MFCD18383917
Product Description
Catalog Number:
AG0093LB
Chemical Name:
1-[4-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-cyclopropanecarbonitrile
CAS Number:
1206641-31-7
Molecular Formula:
C16H20BNO2
Molecular Weight:
269.1465
MDL Number:
MFCD18383917
IUPAC Name:
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carbonitrile
InChI:
InChI=1S/C16H20BNO2/c1-14(2)15(3,4)20-17(19-14)13-7-5-12(6-8-13)16(11-18)9-10-16/h5-8H,9-10H2,1-4H3
InChI Key:
LQTZQARAJYGKBH-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
423
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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