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36664-10-5 | N-[2-(2-nitroimidazol-1-yl)ethyl]acetamide
CAS No: 36664-10-5 Catalog No: AG00D2SI MDL No:
Product Description
Catalog Number:
AG00D2SI
Chemical Name:
N-[2-(2-nitroimidazol-1-yl)ethyl]acetamide
CAS Number:
36664-10-5
IUPAC Name:
N-[2-(2-nitroimidazol-1-yl)ethyl]acetamide
InChI:
InChI=1S/C7H10N4O3/c1-6(12)8-2-4-10-5-3-9-7(10)11(13)14/h3,5H,2,4H2,1H3,(H,8,12)
InChI Key:
CBTWZSITICYTDZ-UHFFFAOYSA-N
NSC Number:
314053
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.075g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.182g/mol
Monoisotopic Mass:
198.075g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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