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Home > Boronic Acids > 863868-34-2
863868-34-2 | 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile
CAS No: 863868-34-2 Catalog No: AG004XDK MDL No:MFCD08061937
Product Description
Catalog Number:
AG004XDK
Chemical Name:
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalonitrile
CAS Number:
863868-34-2
Molecular Formula:
C14H15BN2O2
Molecular Weight:
254.0921
MDL Number:
MFCD08061937
IUPAC Name:
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarbonitrile
InChI:
InChI=1S/C14H15BN2O2/c1-13(2)14(3,4)19-15(18-13)12-6-10(8-16)5-11(7-12)9-17/h5-7H,1-4H3
InChI Key:
FAZFONAGXSBJMR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)C#N)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.096g/mol
Monoisotopic Mass:
254.123g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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