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Home > Nitro Compounds > 28611-06-5
28611-06-5 | Methanone, (5-nitro-1H-indazol-1-yl)(3,4,5-trimethoxyphenyl)-
CAS No: 28611-06-5 Catalog No: AG002VUV MDL No:
Product Description
Catalog Number:
AG002VUV
Chemical Name:
Methanone, (5-nitro-1H-indazol-1-yl)(3,4,5-trimethoxyphenyl)-
CAS Number:
28611-06-5
Molecular Formula:
C17H15N3O6
Molecular Weight:
357.3175
IUPAC Name:
(5-nitroindazol-1-yl)-(3,4,5-trimethoxyphenyl)methanone
InChI:
InChI=1S/C17H15N3O6/c1-24-14-7-10(8-15(25-2)16(14)26-3)17(21)19-13-5-4-12(20(22)23)6-11(13)9-18-19/h4-9H,1-3H3
InChI Key:
OKJNWAUJIAZUNF-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(=O)n1ncc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
513
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.096g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
357.322g/mol
Monoisotopic Mass:
357.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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