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1600-61-9 | 3H-1,2,4-Triazol-3-one, 1,2-dihydro-2-methyl-5-(5-nitro-2-furanyl)-
CAS No: 1600-61-9 Catalog No: AG001RL6 MDL No:
Product Description
Catalog Number:
AG001RL6
Chemical Name:
3H-1,2,4-Triazol-3-one, 1,2-dihydro-2-methyl-5-(5-nitro-2-furanyl)-
CAS Number:
1600-61-9
Molecular Formula:
C7H6N4O4
Molecular Weight:
210.1469
IUPAC Name:
2-methyl-5-(5-nitrofuran-2-yl)-4H-1,2,4-triazol-3-one
InChI:
InChI=1S/C7H6N4O4/c1-10-7(12)8-6(9-10)4-2-3-5(15-4)11(13)14/h2-3H,1H3,(H,8,9,12)
InChI Key:
VPGANWWUEZSJQK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)c1[nH]n(c(=O)n1)C
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.149g/mol
Monoisotopic Mass:
210.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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