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Home > Nitro Compounds > 86673-69-0
86673-69-0 | Morpholine, 4-[3-(4-methoxyphenyl)-5-nitro-2-thienyl]-
CAS No: 86673-69-0 Catalog No: AG004TD2 MDL No:
Product Description
Catalog Number:
AG004TD2
Chemical Name:
Morpholine, 4-[3-(4-methoxyphenyl)-5-nitro-2-thienyl]-
CAS Number:
86673-69-0
Molecular Formula:
C15H16N2O4S
Molecular Weight:
320.3635
IUPAC Name:
4-[3-(4-methoxyphenyl)-5-nitrothiophen-2-yl]morpholine
InChI:
InChI=1S/C15H16N2O4S/c1-20-12-4-2-11(3-5-12)13-10-14(17(18)19)22-15(13)16-6-8-21-9-7-16/h2-5,10H,6-9H2,1H3
InChI Key:
JKWBVFTUVZFDFL-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(sc1N1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.363g/mol
Monoisotopic Mass:
320.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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