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33003-18-8 | 1-isopropyl-2-methyl-5-nitro-1H-imidazole
CAS No: 33003-18-8 Catalog No: AG01BUA9 MDL No:MFCD21339133
Product Description
Catalog Number:
AG01BUA9
Chemical Name:
1-isopropyl-2-methyl-5-nitro-1H-imidazole
CAS Number:
33003-18-8
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD21339133
IUPAC Name:
2-methyl-5-nitro-1-propan-2-ylimidazole
InChI:
InChI=1S/C7H11N3O2/c1-5(2)9-6(3)8-4-7(9)10(11)12/h4-5H,1-3H3
InChI Key:
FHZFIUJNLJGRBL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1C(C)C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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