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Home > Nitro Compounds > 89221-07-8
89221-07-8 | 1H-1,2,3-Triazole, 1-ethyl-4-(4-nitrophenyl)-
CAS No: 89221-07-8 Catalog No: AG0044YC MDL No:
Product Description
Catalog Number:
AG0044YC
Chemical Name:
1H-1,2,3-Triazole, 1-ethyl-4-(4-nitrophenyl)-
CAS Number:
89221-07-8
Molecular Formula:
C10H10N4O2
Molecular Weight:
218.2120
IUPAC Name:
1-ethyl-4-(4-nitrophenyl)triazole
InChI:
InChI=1S/C10H10N4O2/c1-2-13-7-10(11-12-13)8-3-5-9(6-4-8)14(15)16/h3-7H,2H2,1H3
InChI Key:
PRZDLKKNGZIAFR-UHFFFAOYSA-N
SMILES:
CCn1nnc(c1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
248
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:
2
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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