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Home > Nitro Compounds > 6111-97-3
6111-97-3 | 4-(4-Nitrophenyl)-1H-1,2,3-triazole
CAS No: 6111-97-3 Catalog No: AG00F39D MDL No:
Product Description
Catalog Number:
AG00F39D
Chemical Name:
4-(4-Nitrophenyl)-1H-1,2,3-triazole
CAS Number:
6111-97-3
IUPAC Name:
4-(4-nitrophenyl)-2H-triazole
InChI:
InChI=1S/C8H6N4O2/c13-12(14)7-3-1-6(2-4-7)8-5-9-11-10-8/h1-5H,(H,9,10,11)
InChI Key:
HXIHDBOLXXRPOZ-UHFFFAOYSA-N
Properties
Complexity:
210
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:
1
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Click-generated triazole ureas as ultrapotent in vivo-active serine hydrolase inhibitors. | Nature chemical biology 20110701 |
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