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Home > Boronic Acids > 863868-21-7
863868-21-7 | 4-IODO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE
CAS No: 863868-21-7 Catalog No: AG004XDM MDL No:
Product Description
Catalog Number:
AG004XDM
Chemical Name:
4-IODO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL) BENZONITRILE
CAS Number:
863868-21-7
Molecular Formula:
C13H15BINO2
Molecular Weight:
354.9792
IUPAC Name:
4-iodo-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H15BINO2/c1-12(2)13(3,4)18-14(17-12)11-7-10(15)6-5-9(11)8-16/h5-7H,1-4H3
InChI Key:
YMRKYJPJBVPWCC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1B1OC(C(O1)(C)C)(C)C)I
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.982g/mol
Monoisotopic Mass:
355.024g/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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