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Home > Nitro Compounds > 142167-51-9
142167-51-9 | Ethanone, 2-[(4-methoxyphenyl)thio]-1-(4-nitrophenyl)-
CAS No: 142167-51-9 Catalog No: AG001HVE MDL No:
Product Description
Catalog Number:
AG001HVE
Chemical Name:
Ethanone, 2-[(4-methoxyphenyl)thio]-1-(4-nitrophenyl)-
CAS Number:
142167-51-9
Molecular Formula:
C15H13NO4S
Molecular Weight:
303.3330
IUPAC Name:
2-(4-methoxyphenyl)sulfanyl-1-(4-nitrophenyl)ethanone
InChI:
InChI=1S/C15H13NO4S/c1-20-13-6-8-14(9-7-13)21-10-15(17)11-2-4-12(5-3-11)16(18)19/h2-9H,10H2,1H3
InChI Key:
TYIRCCXXHKYEMW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)SCC(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.332g/mol
Monoisotopic Mass:
303.057g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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