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Home > Boronic Acids > 878194-94-6
878194-94-6 | 2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS No: 878194-94-6 Catalog No: AG003GW7 MDL No:MFCD09037479
Product Description
Catalog Number:
AG003GW7
Chemical Name:
2-Chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)nicotinonitrile
CAS Number:
878194-94-6
Molecular Formula:
C12H14BClN2O2
Molecular Weight:
264.5158
MDL Number:
MFCD09037479
IUPAC Name:
2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H14BClN2O2/c1-11(2)12(3,4)18-13(17-11)9-5-6-16-10(14)8(9)7-15/h5-6H,1-4H3
InChI Key:
YYPZHORJYDCOSQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccnc1Cl)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.084g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.516g/mol
Monoisotopic Mass:
264.084g/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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