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69287-60-1 | 2-Naphthalenesulfonic acid, 6-[(4-methoxyphenyl)amino]-
CAS No: 69287-60-1 Catalog No: AG006GH2 MDL No:
Product Description
Catalog Number:
AG006GH2
Chemical Name:
2-Naphthalenesulfonic acid, 6-[(4-methoxyphenyl)amino]-
CAS Number:
69287-60-1
Molecular Formula:
C17H15NO4S
Molecular Weight:
329.3703
IUPAC Name:
6-(4-methoxyanilino)naphthalene-2-sulfonic acid
InChI:
InChI=1S/C17H15NO4S/c1-22-16-7-5-14(6-8-16)18-15-4-2-13-11-17(23(19,20)21)9-3-12(13)10-15/h2-11,18H,1H3,(H,19,20,21)
InChI Key:
DFBWWSFAKXYLQF-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1ccc2c(c1)ccc(c2)S(=O)(=O)O
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.072g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.37g/mol
Monoisotopic Mass:
329.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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