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1874148-75-0 | 1,3,5-Tris(1-trityl-4-pyrazolyl)benzene
CAS No: 1874148-75-0 Catalog No: AG01FLLW MDL No:
Product Description
Catalog Number:
AG01FLLW
Chemical Name:
1,3,5-Tris(1-trityl-4-pyrazolyl)benzene
CAS Number:
1874148-75-0
IUPAC Name:
4-[3,5-bis(1-tritylpyrazol-4-yl)phenyl]-1-tritylpyrazole
InChI:
InChI=1S/C72H54N6/c1-10-28-61(29-11-1)70(62-30-12-2-13-31-62,63-32-14-3-15-33-63)76-52-58(49-73-76)55-46-56(59-50-74-77(53-59)71(64-34-16-4-17-35-64,65-36-18-5-19-37-65)66-38-20-6-21-39-66)48-57(47-55)60-51-75-78(54-60)72(67-40-22-7-23-41-67,68-42-24-8-25-43-68)69-44-26-9-27-45-69/h1-54H
InChI Key:
QZJDMCAVRFPRHX-UHFFFAOYSA-N
Properties
Complexity:
1430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1002.441g/mol
Formal Charge:
0
Heavy Atom Count:
78
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1003.266g/mol
Monoisotopic Mass:
1002.441g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
16.1
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