200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 119666-27-2
119666-27-2 | 2-Anthracenesulfonic acid, 9,10-diethoxy-, (4-nitrophenyl)methyl ester
CAS No: 119666-27-2 Catalog No: AG000PFO MDL No:
Product Description
Catalog Number:
AG000PFO
Chemical Name:
2-Anthracenesulfonic acid, 9,10-diethoxy-, (4-nitrophenyl)methyl ester
CAS Number:
119666-27-2
Molecular Formula:
C25H23NO7S
Molecular Weight:
481.5176
IUPAC Name:
(4-nitrophenyl)methyl 9,10-diethoxyanthracene-2-sulfonate
InChI:
InChI=1S/C25H23NO7S/c1-3-31-24-20-7-5-6-8-21(20)25(32-4-2)23-15-19(13-14-22(23)24)34(29,30)33-16-17-9-11-18(12-10-17)26(27)28/h5-15H,3-4,16H2,1-2H3
InChI Key:
JJZREQRPFSUKPB-UHFFFAOYSA-N
SMILES:
CCOc1c2cc(ccc2c(c2c1cccc2)OCC)S(=O)(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
771
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.12g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
481.519g/mol
Monoisotopic Mass:
481.12g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.