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918300-61-5

918300-61-5 | 1H-1,2,3-Triazole, 5-[(1E)-2-phenylethenyl]-

CAS No: 918300-61-5 Catalog No: AG006GI3 MDL No:

Product Description

Catalog Number:
AG006GI3
Chemical Name:
1H-1,2,3-Triazole, 5-[(1E)-2-phenylethenyl]-
CAS Number:
918300-61-5
Molecular Formula:
C10H9N3
Molecular Weight:
171.1986
IUPAC Name:
4-(2-phenylethenyl)-2H-triazole
InChI:
InChI=1S/C10H9N3/c1-2-4-9(5-3-1)6-7-10-8-11-13-12-10/h1-8H,(H,11,12,13)
InChI Key:
NFTJXZCGGJKWDD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)/C=C/c1cnn[nH]1

Properties

Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.08g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
171.203g/mol
Monoisotopic Mass:
171.08g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
1.9  

Literature

Title Journal
Synthesis and evaluation of ¹⁸F-labeled styryltriazole and resveratrol derivatives for β-amyloid plaque imaging. Journal of medicinal chemistry 20120126

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