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16152-10-6 | 4H-1,2,4-Triazole, 4-(1-naphthalenyl)-3,5-diphenyl-
CAS No: 16152-10-6 Catalog No: AG001VO9 MDL No:MFCD09832971
Product Description
Catalog Number:
AG001VO9
Chemical Name:
4H-1,2,4-Triazole, 4-(1-naphthalenyl)-3,5-diphenyl-
CAS Number:
16152-10-6
Molecular Formula:
C24H17N3
Molecular Weight:
347.4119
MDL Number:
MFCD09832971
IUPAC Name:
4-naphthalen-1-yl-3,5-diphenyl-1,2,4-triazole
InChI:
InChI=1S/C24H17N3/c1-3-11-19(12-4-1)23-25-26-24(20-13-5-2-6-14-20)27(23)22-17-9-15-18-10-7-8-16-21(18)22/h1-17H
InChI Key:
AOQKGYRILLEVJV-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc(n1c1cccc2c1cccc2)c1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.421g/mol
Monoisotopic Mass:
347.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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