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124636-05-1 | 1H-Benzimidazol-2-amine, N-(4,6-dimethyl-2-pyrimidinyl)-6-nitro-
CAS No: 124636-05-1 Catalog No: AG000MI8 MDL No:
Product Description
Catalog Number:
AG000MI8
Chemical Name:
1H-Benzimidazol-2-amine, N-(4,6-dimethyl-2-pyrimidinyl)-6-nitro-
CAS Number:
124636-05-1
Molecular Formula:
C13H12N6O2
Molecular Weight:
284.2734
IUPAC Name:
N-(4,6-dimethylpyrimidin-2-yl)-6-nitro-1H-benzimidazol-2-amine
InChI:
InChI=1S/C13H12N6O2/c1-7-5-8(2)15-12(14-7)18-13-16-10-4-3-9(19(20)21)6-11(10)17-13/h3-6H,1-2H3,(H2,14,15,16,17,18)
InChI Key:
PRBHAYTUAONZLV-UHFFFAOYSA-N
SMILES:
Cc1cc(C)nc(n1)Nc1nc2c([nH]1)cc(cc2)[N+](=O)[O-]
NSC Number:
641446
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.102g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
284.279g/mol
Monoisotopic Mass:
284.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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