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Home > Boronic Acids > 1083168-94-8
1083168-94-8 | 2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyridine
CAS No: 1083168-94-8 Catalog No: AG0083P3 MDL No:MFCD12923397
Product Description
Catalog Number:
AG0083P3
Chemical Name:
2-Methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl);pyridine
CAS Number:
1083168-94-8
Molecular Formula:
C12H17BN2O5
Molecular Weight:
280.0848
MDL Number:
MFCD12923397
IUPAC Name:
2-methoxy-3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
InChI:
InChI=1S/C12H17BN2O5/c1-11(2)12(3,4)20-13(19-11)8-6-9(15(16)17)10(18-5)14-7-8/h6-7H,1-5H3
InChI Key:
XWXOPFXUTOQOSM-UHFFFAOYSA-N
SMILES:
COc1ncc(cc1[N+](=O)[O-])B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.123g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.087g/mol
Monoisotopic Mass:
280.123g/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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