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206659-00-9 | 1-Naphthalenesulfonic acid, 8-(phenylamino)-, ammonium salt, hydrate (1:1:?)
CAS No: 206659-00-9 Catalog No: AG002IM3 MDL No:MFCD07809526
Product Description
Catalog Number:
AG002IM3
Chemical Name:
1-Naphthalenesulfonic acid, 8-(phenylamino)-, ammonium salt, hydrate (1:1:?)
CAS Number:
206659-00-9
Molecular Formula:
C16H18N2O4S
Molecular Weight:
334.3901
MDL Number:
MFCD07809526
IUPAC Name:
azanium;8-anilinonaphthalene-1-sulfonate;hydrate
InChI:
InChI=1S/C16H13NO3S.H3N.H2O/c18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;;/h1-11,17H,(H,18,19,20);1H3;1H2
InChI Key:
WCSOAGYLOWUTAG-UHFFFAOYSA-N
SMILES:
[O-]S(=O)(=O)c1cccc2c1c(ccc2)Nc1ccccc1.O.[NH4+]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.099g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
334.39g/mol
Monoisotopic Mass:
334.099g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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