Home Halogens 3-chloro-4,5-diphenyl-4H-1,2,4-triazole

3-chloro-4,5-diphenyl-4H-1,2,4-triazole

CAS No.:
57022-97-6
Catalog Number:
AG00EKDU
Molecular Formula:
C14H10ClN3
Molecular Weight:
255.7023
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Product Description
Catalog Number:
AG00EKDU
Chemical Name:
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CAS Number:
57022-97-6
Molecular Formula:
C14H10ClN3
Molecular Weight:
255.7023
MDL Number:
MFCD09995933
IUPAC Name:
3-chloro-4,5-diphenyl-1,2,4-triazole
InChI:
InChI=1S/C14H10ClN3/c15-14-17-16-13(11-7-3-1-4-8-11)18(14)12-9-5-2-6-10-12/h1-10H
InChI Key:
ZLIFHMDKLFUZQJ-UHFFFAOYSA-N
SMILES:
Clc1nnc(n1c1ccccc1)c1ccccc1
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.056g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.705g/mol
Monoisotopic Mass:
255.056g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties