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Home > Nitro Compounds > 101241-52-5
101241-52-5 | Benzene, 1-ethoxy-2-nitro-4-(phenylsulfinyl)-
CAS No: 101241-52-5 Catalog No: AG00040Z MDL No:
Product Description
Catalog Number:
AG00040Z
Chemical Name:
Benzene, 1-ethoxy-2-nitro-4-(phenylsulfinyl)-
CAS Number:
101241-52-5
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
IUPAC Name:
4-(benzenesulfinyl)-1-ethoxy-2-nitrobenzene
InChI:
InChI=1S/C14H13NO4S/c1-2-19-14-9-8-12(10-13(14)15(16)17)20(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChI Key:
XWVGAMLHFMEIHY-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1[N+](=O)[O-])S(=O)c1ccccc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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