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105683-40-7 | 2-Naphthalenesulfonamide, 6,7-dihydroxy-N-(4-propylphenyl)-
CAS No: 105683-40-7 Catalog No: AG007VIE MDL No:
Product Description
Catalog Number:
AG007VIE
Chemical Name:
2-Naphthalenesulfonamide, 6,7-dihydroxy-N-(4-propylphenyl)-
CAS Number:
105683-40-7
Molecular Formula:
C19H19NO4S
Molecular Weight:
357.4235
IUPAC Name:
6,7-dihydroxy-N-(4-propylphenyl)naphthalene-2-sulfonamide
InChI:
InChI=1S/C19H19NO4S/c1-2-3-13-4-7-16(8-5-13)20-25(23,24)17-9-6-14-11-18(21)19(22)12-15(14)10-17/h4-12,20-22H,2-3H2,1H3
InChI Key:
DUZTZYRRPKKPJI-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)NS(=O)(=O)c1ccc2c(c1)cc(c(c2)O)O
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.103g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
357.424g/mol
Monoisotopic Mass:
357.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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