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Home > Imidazoles > 135009-59-5
135009-59-5 | 1H-Imidazole, 1-(cyclopropylmethyl)-2-methyl-4-nitro-
CAS No: 135009-59-5 Catalog No: AG007LMK MDL No:
Product Description
Catalog Number:
AG007LMK
Chemical Name:
1H-Imidazole, 1-(cyclopropylmethyl)-2-methyl-4-nitro-
CAS Number:
135009-59-5
Molecular Formula:
C8H11N3O2
Molecular Weight:
181.1918
IUPAC Name:
1-(cyclopropylmethyl)-2-methyl-4-nitroimidazole
InChI:
InChI=1S/C8H11N3O2/c1-6-9-8(11(12)13)5-10(6)4-7-2-3-7/h5,7H,2-4H2,1H3
InChI Key:
ZZGKOVOHQKBJLD-UHFFFAOYSA-N
SMILES:
Cc1nc(cn1CC1CC1)[N+](=O)[O-]
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.085g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.195g/mol
Monoisotopic Mass:
181.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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