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Home > Imidazoles > 16773-52-7
16773-52-7 | 1H-Imidazole, 2-methyl-5-nitro-1-(2-oxiranylmethyl)-
CAS No: 16773-52-7 Catalog No: AG001XKB MDL No:
Product Description
Catalog Number:
AG001XKB
Chemical Name:
1H-Imidazole, 2-methyl-5-nitro-1-(2-oxiranylmethyl)-
CAS Number:
16773-52-7
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
IUPAC Name:
2-methyl-5-nitro-1-(oxiran-2-ylmethyl)imidazole
InChI:
InChI=1S/C7H9N3O3/c1-5-8-2-7(10(11)12)9(5)3-6-4-13-6/h2,6H,3-4H2,1H3
InChI Key:
NLXRQOREXATYEE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnc(n1CC1CO1)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.064g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.167g/mol
Monoisotopic Mass:
183.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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