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Home > Nitro Compounds > 16759-50-5
16759-50-5 | 1H-1,2,4-Triazole, 3,5-dimethyl-1-(4-nitrophenyl)-
CAS No: 16759-50-5 Catalog No: AG001XGQ MDL No:
Product Description
Catalog Number:
AG001XGQ
Chemical Name:
1H-1,2,4-Triazole, 3,5-dimethyl-1-(4-nitrophenyl)-
CAS Number:
16759-50-5
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
3,5-dimethyl-1-(4-nitrophenyl)-1,2,4-triazole
InChI:
InChI=1S/C10H10N4O2/c1-7-11-8(2)13(12-7)9-3-5-10(6-4-9)14(15)16/h3-6H,1-2H3
InChI Key:
GTBCASVNFPTKDY-UHFFFAOYSA-N
SMILES:
Cc1nn(c(n1)C)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.216g/mol
Monoisotopic Mass:
218.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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