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Home > Nitro Compounds > 144137-56-4
144137-56-4 | Benzenesulfonic acid, 2-nitro-, 2,6-dimethoxyphenyl ester
CAS No: 144137-56-4 Catalog No: AG001IZ1 MDL No:
Product Description
Catalog Number:
AG001IZ1
Chemical Name:
Benzenesulfonic acid, 2-nitro-, 2,6-dimethoxyphenyl ester
CAS Number:
144137-56-4
Molecular Formula:
C14H13NO7S
Molecular Weight:
339.3205
IUPAC Name:
(2,6-dimethoxyphenyl) 2-nitrobenzenesulfonate
InChI:
InChI=1S/C14H13NO7S/c1-20-11-7-5-8-12(21-2)14(11)22-23(18,19)13-9-4-3-6-10(13)15(16)17/h3-9H,1-2H3
InChI Key:
YYOWIQKIBVEODS-UHFFFAOYSA-N
SMILES:
COc1cccc(c1OS(=O)(=O)c1ccccc1[N+](=O)[O-])OC
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.041g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
339.318g/mol
Monoisotopic Mass:
339.041g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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