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89804-57-9 | 1H-1,2,4-Triazole, 5-(4-chlorophenyl)-3-methyl-1-phenyl-
CAS No: 89804-57-9 Catalog No: AG003YAM MDL No:
Product Description
Catalog Number:
AG003YAM
Chemical Name:
1H-1,2,4-Triazole, 5-(4-chlorophenyl)-3-methyl-1-phenyl-
CAS Number:
89804-57-9
Molecular Formula:
C15H12ClN3
Molecular Weight:
269.7289
IUPAC Name:
5-(4-chlorophenyl)-3-methyl-1-phenyl-1,2,4-triazole
InChI:
InChI=1S/C15H12ClN3/c1-11-17-15(12-7-9-13(16)10-8-12)19(18-11)14-5-3-2-4-6-14/h2-10H,1H3
InChI Key:
WLUSIXQQGBBERQ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(nn1c1ccccc1)C
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.072g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.732g/mol
Monoisotopic Mass:
269.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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