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74141-75-6 | N-(2,3-dihydroxypropyl)-2-(2-nitroimidazol-1-yl)acetamide
CAS No: 74141-75-6 Catalog No: AG005DW2 MDL No:
Product Description
Catalog Number:
AG005DW2
Chemical Name:
N-(2,3-dihydroxypropyl)-2-(2-nitroimidazol-1-yl)acetamide
CAS Number:
74141-75-6
Molecular Formula:
C8H12N4O5
Molecular Weight:
244.2047
IUPAC Name:
N-(2,3-dihydroxypropyl)-2-(2-nitroimidazol-1-yl)acetamide
InChI:
InChI=1S/C8H12N4O5/c13-5-6(14)3-10-7(15)4-11-2-1-9-8(11)12(16)17/h1-2,6,13-14H,3-5H2,(H,10,15)
InChI Key:
ITIMVGQIEWDPHB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nccn1CC(=O)NCC(CO)O
NSC Number:
307256
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.081g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
244.207g/mol
Monoisotopic Mass:
244.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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