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88876-89-5 | 1H-Imidazole-1-ethanol, alpha-((2-methyl-1-aziridinyl)methyl)-2-nitro-
CAS No: 88876-89-5 Catalog No: AG008AK8 MDL No:
Product Description
Catalog Number:
AG008AK8
Chemical Name:
1H-Imidazole-1-ethanol, alpha-((2-methyl-1-aziridinyl)methyl)-2-nitro-
CAS Number:
88876-89-5
Molecular Formula:
C9H14N4O3
Molecular Weight:
226.2325
IUPAC Name:
1-(2-methylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
InChI:
InChI=1S/C9H14N4O3/c1-7-4-12(7)6-8(14)5-11-3-2-10-9(11)13(15)16/h2-3,7-8,14H,4-6H2,1H3
InChI Key:
AFLZZBWHQVDQKY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nccn1CC(CN1CC1C)O
NSC Number:
358270
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.107g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.236g/mol
Monoisotopic Mass:
226.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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