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Home > Nitro Compounds > 76128-03-5
76128-03-5 | Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-
CAS No: 76128-03-5 Catalog No: AG005G59 MDL No:
Product Description
Catalog Number:
AG005G59
Chemical Name:
Benzene, 1-(4-nitrophenoxy)-4-(phenylsulfonyl)-
CAS Number:
76128-03-5
Molecular Formula:
C18H13NO5S
Molecular Weight:
355.3645
IUPAC Name:
1-[4-(benzenesulfonyl)phenoxy]-4-nitrobenzene
InChI:
InChI=1S/C18H13NO5S/c20-19(21)14-6-8-15(9-7-14)24-16-10-12-18(13-11-16)25(22,23)17-4-2-1-3-5-17/h1-13H
InChI Key:
ZFFOATJMEQWVRM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)c1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.051g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.364g/mol
Monoisotopic Mass:
355.051g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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