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Home > Nitro Compounds > 73935-71-4
73935-71-4 | 4H-1,4-Thiazine, 3-(4-nitrophenyl)-2,5,6-triphenyl-, 1,1-dioxide
CAS No: 73935-71-4 Catalog No: AG005IWV MDL No:
Product Description
Catalog Number:
AG005IWV
Chemical Name:
4H-1,4-Thiazine, 3-(4-nitrophenyl)-2,5,6-triphenyl-, 1,1-dioxide
CAS Number:
73935-71-4
Molecular Formula:
C28H20N2O4S
Molecular Weight:
480.5344
IUPAC Name:
3-(4-nitrophenyl)-2,5,6-triphenyl-4H-1,4-thiazine 1,1-dioxide
InChI:
InChI=1S/C28H20N2O4S/c31-30(32)24-18-16-21(17-19-24)26-28(23-14-8-3-9-15-23)35(33,34)27(22-12-6-2-7-13-22)25(29-26)20-10-4-1-5-11-20/h1-19,29H
InChI Key:
MQWFSSURVXIFFR-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C1=C(c2ccccc2)S(=O)(=O)C(=C(N1)c1ccccc1)c1ccccc1
Properties
Complexity:
932
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
480.114g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
480.538g/mol
Monoisotopic Mass:
480.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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