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124750-53-4 | 1H-Tetrazole, 5-(4'-methyl[1,1'-biphenyl]-2-yl)-1-(triphenylmethyl)-
CAS No: 124750-53-4 Catalog No: AG000MPW MDL No:MFCD00665220
Product Description
Catalog Number:
AG000MPW
Chemical Name:
1H-Tetrazole, 5-(4'-methyl[1,1'-biphenyl]-2-yl)-1-(triphenylmethyl)-
CAS Number:
124750-53-4
Molecular Formula:
C33H26N4
Molecular Weight:
478.5863
MDL Number:
MFCD00665220
IUPAC Name:
5-[2-(4-methylphenyl)phenyl]-1-trityltetrazole
InChI:
InChI=1S/C33H26N4/c1-25-21-23-26(24-22-25)30-19-11-12-20-31(30)32-34-35-36-37(32)33(27-13-5-2-6-14-27,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-24H,1H3
InChI Key:
ZSBYTGRKIKIRRJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccccc1c1nnnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.216g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.599g/mol
Monoisotopic Mass:
478.216g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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