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Home > Nitro Compounds > 86673-67-8
86673-67-8 | Morpholine, 4-[3-(4-methylphenyl)-5-nitro-2-thienyl]-
CAS No: 86673-67-8 Catalog No: AG004TD3 MDL No:
Product Description
Catalog Number:
AG004TD3
Chemical Name:
Morpholine, 4-[3-(4-methylphenyl)-5-nitro-2-thienyl]-
CAS Number:
86673-67-8
Molecular Formula:
C15H16N2O3S
Molecular Weight:
304.3641
IUPAC Name:
4-[3-(4-methylphenyl)-5-nitrothiophen-2-yl]morpholine
InChI:
InChI=1S/C15H16N2O3S/c1-11-2-4-12(5-3-11)13-10-14(17(18)19)21-15(13)16-6-8-20-9-7-16/h2-5,10H,6-9H2,1H3
InChI Key:
VEGHFIJCWYGAIE-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1cc(sc1N1CCOCC1)[N+](=O)[O-]
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.364g/mol
Monoisotopic Mass:
304.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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