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Home > Boronic Acids > 1310384-94-1
1310384-94-1 | Pyridine, 2-methoxy-4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1310384-94-1 Catalog No: AG000VEK MDL No:MFCD08063067
Product Description
Catalog Number:
AG000VEK
Chemical Name:
Pyridine, 2-methoxy-4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1310384-94-1
Molecular Formula:
C13H19BN2O5
Molecular Weight:
294.1114
MDL Number:
MFCD08063067
IUPAC Name:
2-methoxy-4-methyl-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C13H19BN2O5/c1-8-9(7-15-11(19-6)10(8)16(17)18)14-20-12(2,3)13(4,5)21-14/h7H,1-6H3
InChI Key:
ZWZSQJVUWDRQAD-UHFFFAOYSA-N
SMILES:
COc1ncc(c(c1[N+](=O)[O-])C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.139g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.114g/mol
Monoisotopic Mass:
294.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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