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Home > Boronic Acids > 863868-54-6
863868-54-6 | 2-Pyridinecarbonitrile,5-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 863868-54-6 Catalog No: AG00IE1J MDL No:MFCD12923448
Product Description
Catalog Number:
AG00IE1J
Chemical Name:
2-Pyridinecarbonitrile,5-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
863868-54-6
Molecular Formula:
C12H14BBrN2O2
Molecular Weight:
308.9668
MDL Number:
MFCD12923448
IUPAC Name:
5-bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-carbonitrile
InChI:
InChI=1S/C12H14BBrN2O2/c1-11(2)12(3,4)18-13(17-11)9-5-8(6-15)16-7-10(9)14/h5,7H,1-4H3
InChI Key:
QYYMMIXHBYTYFZ-UHFFFAOYSA-N
SMILES:
N#Cc1ncc(c(c1)B1OC(C(O1)(C)C)(C)C)Br
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.97g/mol
Monoisotopic Mass:
308.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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