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39893-64-6 | alpha,2-dimethyl-4-nitro-1H-imidazole-1-ethanol
CAS No: 39893-64-6 Catalog No: AG00CO7V MDL No:
Product Description
Catalog Number:
AG00CO7V
Chemical Name:
alpha,2-dimethyl-4-nitro-1H-imidazole-1-ethanol
CAS Number:
39893-64-6
IUPAC Name:
1-(2-methyl-4-nitroimidazol-1-yl)propan-2-ol
InChI:
InChI=1S/C7H11N3O3/c1-5(11)3-9-4-7(10(12)13)8-6(9)2/h4-5,11H,3H2,1-2H3
InChI Key:
JRXLILGOSVVPCW-UHFFFAOYSA-N
EC Number:
254-680-0
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.08g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.183g/mol
Monoisotopic Mass:
185.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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