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4812-32-2 | 1H-Imidazole-2-carboxaldehyde, 1-[2-(acetyloxy)ethyl]-5-nitro-
CAS No: 4812-32-2 Catalog No: AG006XXK MDL No:
Product Description
Catalog Number:
AG006XXK
Chemical Name:
1H-Imidazole-2-carboxaldehyde, 1-[2-(acetyloxy)ethyl]-5-nitro-
CAS Number:
4812-32-2
Molecular Formula:
C8H9N3O5
Molecular Weight:
227.1742
IUPAC Name:
2-(2-formyl-5-nitroimidazol-1-yl)ethyl acetate
InChI:
InChI=1S/C8H9N3O5/c1-6(13)16-3-2-10-7(5-12)9-4-8(10)11(14)15/h4-5H,2-3H2,1H3
InChI Key:
VDZJVXFACHQYKK-UHFFFAOYSA-N
SMILES:
O=Cc1ncc(n1CCOC(=O)C)[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.176g/mol
Monoisotopic Mass:
227.054g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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