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10187-80-1 | Acetamide, N-[4-methyl-5-(5-nitro-2-furanyl)-4H-1,2,4-triazol-3-yl]-
CAS No: 10187-80-1 Catalog No: AG0005TD MDL No:
Product Description
Catalog Number:
AG0005TD
Chemical Name:
Acetamide, N-[4-methyl-5-(5-nitro-2-furanyl)-4H-1,2,4-triazol-3-yl]-
CAS Number:
10187-80-1
Molecular Formula:
C9H9N5O4
Molecular Weight:
251.1989
IUPAC Name:
N-[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]acetamide
InChI:
InChI=1S/C9H9N5O4/c1-5(15)10-9-12-11-8(13(9)2)6-3-4-7(18-6)14(16)17/h3-4H,1-2H3,(H,10,12,15)
InChI Key:
MHCLDMWJSYEXLB-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1nnc(n1C)c1ccc(o1)[N+](=O)[O-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.202g/mol
Monoisotopic Mass:
251.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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