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31876-69-4 | 1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-one
CAS No: 31876-69-4 Catalog No: AG00CKKT MDL No:
Product Description
Catalog Number:
AG00CKKT
Chemical Name:
1-(2-methyl-5-nitro-imidazol-1-yl)propan-2-one
CAS Number:
31876-69-4
IUPAC Name:
1-(2-methyl-5-nitroimidazol-1-yl)propan-2-one
InChI:
InChI=1S/C7H9N3O3/c1-5(11)4-9-6(2)8-3-7(9)10(12)13/h3H,4H2,1-2H3
InChI Key:
GPHZOEKNRXEQFM-UHFFFAOYSA-N
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:
0.2
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