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Home > Nitro Compounds > 1192873-56-5
1192873-56-5 | 1H-Indazole, 5-nitro-3-(4-pyridinyl)-1-(triphenylmethyl)-
CAS No: 1192873-56-5 Catalog No: AG000IIA MDL No:MFCD13190780
Product Description
Catalog Number:
AG000IIA
Chemical Name:
1H-Indazole, 5-nitro-3-(4-pyridinyl)-1-(triphenylmethyl)-
CAS Number:
1192873-56-5
Molecular Formula:
C31H22N4O2
Molecular Weight:
482.5320
MDL Number:
MFCD13190780
IUPAC Name:
5-nitro-3-pyridin-4-yl-1-tritylindazole
InChI:
InChI=1S/C31H22N4O2/c36-35(37)27-16-17-29-28(22-27)30(23-18-20-32-21-19-23)33-34(29)31(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-22H
InChI Key:
BRLUMRGDIVZAAI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(nn2C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccncc1
Properties
Complexity:
701
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.174g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.543g/mol
Monoisotopic Mass:
482.174g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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