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133028-33-8 | Phenol, 4,4'-(4-phenyl-4H-1,2,4-triazole-3,5-diyl)bis-
CAS No: 133028-33-8 Catalog No: AG0011IY MDL No:
Product Description
Catalog Number:
AG0011IY
Chemical Name:
Phenol, 4,4'-(4-phenyl-4H-1,2,4-triazole-3,5-diyl)bis-
CAS Number:
133028-33-8
Molecular Formula:
C20H15N3O2
Molecular Weight:
329.3520
IUPAC Name:
4-[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenol
InChI:
InChI=1S/C20H15N3O2/c24-17-10-6-14(7-11-17)19-21-22-20(15-8-12-18(25)13-9-15)23(19)16-4-2-1-3-5-16/h1-13,24-25H
InChI Key:
KTRZZKMPBQBXMD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nnc(n1c1ccccc1)c1ccc(cc1)O
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.116g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.359g/mol
Monoisotopic Mass:
329.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
71.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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