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90349-14-7 | 2,5-DIMETHYL-4-NITROBENZO[D]IMIDAZOLE
CAS No: 90349-14-7 Catalog No: AG006RL0 MDL No:
Product Description
Catalog Number:
AG006RL0
Chemical Name:
2,5-DIMETHYL-4-NITROBENZO[D]IMIDAZOLE
CAS Number:
90349-14-7
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
IUPAC Name:
2,5-dimethyl-4-nitro-1H-benzimidazole
InChI:
InChI=1S/C9H9N3O2/c1-5-3-4-7-8(9(5)12(13)14)11-6(2)10-7/h3-4H,1-2H3,(H,10,11)
InChI Key:
ZDKNXWAFKNYXFI-UHFFFAOYSA-N
SMILES:
Cc1nc2c([nH]1)c([N+](=O)[O-])c(cc2)C
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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