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Home > Nitro Compounds > 1245644-15-8
1245644-15-8 | 1H-Indazole, 5-nitro-3-phenyl-1-(triphenylmethyl)-
CAS No: 1245644-15-8 Catalog No: AG000M8V MDL No:
Product Description
Catalog Number:
AG000M8V
Chemical Name:
1H-Indazole, 5-nitro-3-phenyl-1-(triphenylmethyl)-
CAS Number:
1245644-15-8
Molecular Formula:
C32H23N3O2
Molecular Weight:
481.5439
IUPAC Name:
5-nitro-3-phenyl-1-tritylindazole
InChI:
InChI=1S/C32H23N3O2/c36-35(37)28-21-22-30-29(23-28)31(24-13-5-1-6-14-24)33-34(30)32(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-23H
InChI Key:
PHMHFXOTXFSCJP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
698
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.179g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.555g/mol
Monoisotopic Mass:
481.179g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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