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Home > Nitro Compounds > 137626-75-6
137626-75-6 | 2-Anthracenesulfonic acid, 9,10-dimethoxy-, 2-(4-nitrophenyl)ethyl ester
CAS No: 137626-75-6 Catalog No: AG0013N2 MDL No:
Product Description
Catalog Number:
AG0013N2
Chemical Name:
2-Anthracenesulfonic acid, 9,10-dimethoxy-, 2-(4-nitrophenyl)ethyl ester
CAS Number:
137626-75-6
Molecular Formula:
C24H21NO7S
Molecular Weight:
467.4910
IUPAC Name:
2-(4-nitrophenyl)ethyl 9,10-dimethoxyanthracene-2-sulfonate
InChI:
InChI=1S/C24H21NO7S/c1-30-23-19-5-3-4-6-20(19)24(31-2)22-15-18(11-12-21(22)23)33(28,29)32-14-13-16-7-9-17(10-8-16)25(26)27/h3-12,15H,13-14H2,1-2H3
InChI Key:
IZCXATGKPFWZQX-UHFFFAOYSA-N
SMILES:
COc1c2cc(ccc2c(c2c1cccc2)OC)S(=O)(=O)OCCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.104g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.492g/mol
Monoisotopic Mass:
467.104g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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