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Home > Nitro Compounds > 144341-33-3
144341-33-3 | 2-ethoxy-N-[(E)-1-(methylsulfanyl)-2-nitroethenyl]aniline
CAS No: 144341-33-3 Catalog No: AG00IYJA MDL No:MFCD00202431
Product Description
Catalog Number:
AG00IYJA
Chemical Name:
2-ethoxy-N-[(E)-1-(methylsulfanyl)-2-nitroethenyl]aniline
CAS Number:
144341-33-3
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
MDL Number:
MFCD00202431
IUPAC Name:
2-ethoxy-N-(1-methylsulfanyl-2-nitroethenyl)aniline
InChI:
InChI=1S/C11H14N2O3S/c1-3-16-10-7-5-4-6-9(10)12-11(17-2)8-13(14)15/h4-8,12H,3H2,1-2H3
InChI Key:
HEXHANQDPJNWJT-UHFFFAOYSA-N
SMILES:
CCOc1ccccc1N/C(=C\[N+](=O)[O-])/SC
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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