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825619-31-6 | 1H-Benzimidazole, 5,6-dimethoxy-2-(4-nitro-1H-pyrazol-3-yl)-
CAS No: 825619-31-6 Catalog No: AG008KLS MDL No:
Product Description
Catalog Number:
AG008KLS
Chemical Name:
1H-Benzimidazole, 5,6-dimethoxy-2-(4-nitro-1H-pyrazol-3-yl)-
CAS Number:
825619-31-6
Molecular Formula:
C12H11N5O4
Molecular Weight:
289.2468
IUPAC Name:
5,6-dimethoxy-2-(4-nitro-1H-pyrazol-5-yl)-1H-benzimidazole
InChI:
InChI=1S/C12H11N5O4/c1-20-9-3-6-7(4-10(9)21-2)15-12(14-6)11-8(17(18)19)5-13-16-11/h3-5H,1-2H3,(H,13,16)(H,14,15)
InChI Key:
IEUBZTFQOFSGPI-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]c(nc2cc1OC)c1n[nH]cc1[N+](=O)[O-]
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.081g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.251g/mol
Monoisotopic Mass:
289.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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