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Home > Nitro Compounds > 6317-72-2
6317-72-2 | 3-nitro-2,5-diphenyl-1,4-dithiine
CAS No: 6317-72-2 Catalog No: AG00F3MM MDL No:
Product Description
Catalog Number:
AG00F3MM
Chemical Name:
3-nitro-2,5-diphenyl-1,4-dithiine
CAS Number:
6317-72-2
IUPAC Name:
3-nitro-2,5-diphenyl-1,4-dithiine
InChI:
InChI=1S/C16H11NO2S2/c18-17(19)16-15(13-9-5-2-6-10-13)20-11-14(21-16)12-7-3-1-4-8-12/h1-11H
InChI Key:
FFCLAVOZKABAOD-UHFFFAOYSA-N
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.389g/mol
Monoisotopic Mass:
313.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
96.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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