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135307-51-6 | 1H-Imidazole, 1-(2-methylphenyl)-4-nitro-
CAS No: 135307-51-6 Catalog No: AG006Z93 MDL No:
Product Description
Catalog Number:
AG006Z93
Chemical Name:
1H-Imidazole, 1-(2-methylphenyl)-4-nitro-
CAS Number:
135307-51-6
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
IUPAC Name:
1-(2-methylphenyl)-4-nitroimidazole
InChI:
InChI=1S/C10H9N3O2/c1-8-4-2-3-5-9(8)12-6-10(11-7-12)13(14)15/h2-7H,1H3
InChI Key:
CIQJUXNZDPOIJQ-UHFFFAOYSA-N
SMILES:
Cc1ccccc1n1cnc(c1)[N+](=O)[O-]
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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