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473416-34-1 | 3-Iodo-5-Nitro-1-Trityl-1H-Indazole
CAS No: 473416-34-1 Catalog No: AG01DGXV MDL No:MFCD30471950
Product Description
Catalog Number:
AG01DGXV
Chemical Name:
3-Iodo-5-Nitro-1-Trityl-1H-Indazole
CAS Number:
473416-34-1
Molecular Formula:
C26H18IN3O2
Molecular Weight:
531.3445
MDL Number:
MFCD30471950
IUPAC Name:
3-iodo-5-nitro-1-tritylindazole
InChI:
InChI=1S/C26H18IN3O2/c27-25-23-18-22(30(31)32)16-17-24(23)29(28-25)26(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H
InChI Key:
MIYWDVQXBRZATO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(I)nn2C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
531.044g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
531.353g/mol
Monoisotopic Mass:
531.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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