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Home > Nitro Compounds > 89516-08-5
89516-08-5 | Morpholine, 4-[3-(2-naphthalenyl)-5-nitro-2-thienyl]-
CAS No: 89516-08-5 Catalog No: AG0040VZ MDL No:
Product Description
Catalog Number:
AG0040VZ
Chemical Name:
Morpholine, 4-[3-(2-naphthalenyl)-5-nitro-2-thienyl]-
CAS Number:
89516-08-5
Molecular Formula:
C18H16N2O3S
Molecular Weight:
340.3962
IUPAC Name:
4-(3-naphthalen-2-yl-5-nitrothiophen-2-yl)morpholine
InChI:
InChI=1S/C18H16N2O3S/c21-20(22)17-12-16(18(24-17)19-7-9-23-10-8-19)15-6-5-13-3-1-2-4-14(13)11-15/h1-6,11-12H,7-10H2
InChI Key:
VUEMEXCOCPTGAA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1sc(c(c1)c1ccc2c(c1)cccc2)N1CCOCC1
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.088g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.397g/mol
Monoisotopic Mass:
340.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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