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88876-92-0 | alpha-((2,2-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol
CAS No: 88876-92-0 Catalog No: AG004989 MDL No:
Product Description
Catalog Number:
AG004989
Chemical Name:
alpha-((2,2-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol
CAS Number:
88876-92-0
Molecular Formula:
C10H16N4O3
Molecular Weight:
240.2590
IUPAC Name:
1-(2,2-dimethylaziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
InChI:
InChI=1S/C10H16N4O3/c1-10(2)7-13(10)6-8(15)5-12-4-3-11-9(12)14(16)17/h3-4,8,15H,5-7H2,1-2H3
InChI Key:
JIABMBGERXSHEC-UHFFFAOYSA-N
SMILES:
OC(Cn1ccnc1[N+](=O)[O-])CN1CC1(C)C
NSC Number:
362805
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.263g/mol
Monoisotopic Mass:
240.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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