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Home > Nitro Compounds > 14400-01-2
14400-01-2 | 2-Propene-1-thione, 1-(4-morpholinyl)-3-(3-nitrophenyl)-
CAS No: 14400-01-2 Catalog No: AG001IRZ MDL No:
Product Description
Catalog Number:
AG001IRZ
Chemical Name:
2-Propene-1-thione, 1-(4-morpholinyl)-3-(3-nitrophenyl)-
CAS Number:
14400-01-2
Molecular Formula:
C13H14N2O3S
Molecular Weight:
278.3269
IUPAC Name:
1-morpholin-4-yl-3-(3-nitrophenyl)prop-2-ene-1-thione
InChI:
InChI=1S/C13H14N2O3S/c16-15(17)12-3-1-2-11(10-12)4-5-13(19)14-6-8-18-9-7-14/h1-5,10H,6-9H2
InChI Key:
ROVFUIDQBMMNMB-UHFFFAOYSA-N
SMILES:
S=C(N1CCOCC1)C=Cc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.073g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.326g/mol
Monoisotopic Mass:
278.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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