200,000+ products from a single source!
sales@angenechem.com
Home > Imidazoles > 251297-90-2
251297-90-2 | 2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-
CAS No: 251297-90-2 Catalog No: AG002QKC MDL No:
Product Description
Catalog Number:
AG002QKC
Chemical Name:
2-Propanone, 1-(1-methyl-4-nitro-1H-imidazol-5-yl)-
CAS Number:
251297-90-2
Molecular Formula:
C7H9N3O3
Molecular Weight:
183.1647
IUPAC Name:
1-(3-methyl-5-nitroimidazol-4-yl)propan-2-one
InChI:
InChI=1S/C7H9N3O3/c1-5(11)3-6-7(10(12)13)8-4-9(6)2/h4H,3H2,1-2H3
InChI Key:
QDDLHCXACQUXCK-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1n(C)cnc1[N+](=O)[O-]
Properties
Complexity:
226
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:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.