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Home > Nitro Compounds > 18922-72-0
18922-72-0 | 2H-1,2,3-Triazole, 2-(4-nitrophenyl)-
CAS No: 18922-72-0 Catalog No: AG002I33 MDL No:
Product Description
Catalog Number:
AG002I33
Chemical Name:
2H-1,2,3-Triazole, 2-(4-nitrophenyl)-
CAS Number:
18922-72-0
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
IUPAC Name:
2-(4-nitrophenyl)triazole
InChI:
InChI=1S/C8H6N4O2/c13-12(14)8-3-1-7(2-4-8)11-9-5-6-10-11/h1-6H
InChI Key:
DAIISCIHCDYWAF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1nccn1
NSC Number:
127460
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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