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75885-18-6 | 1-Naphthalenesulfonic acid, 4-[(3-aminobenzoyl)amino]-5-hydroxy-
CAS No: 75885-18-6 Catalog No: AG005TOP MDL No:
Product Description
Catalog Number:
AG005TOP
Chemical Name:
1-Naphthalenesulfonic acid, 4-[(3-aminobenzoyl)amino]-5-hydroxy-
CAS Number:
75885-18-6
Molecular Formula:
C17H14N2O5S
Molecular Weight:
358.3685
IUPAC Name:
4-[(3-aminobenzoyl)amino]-5-hydroxynaphthalene-1-sulfonic acid
InChI:
InChI=1S/C17H14N2O5S/c18-11-4-1-3-10(9-11)17(21)19-13-7-8-15(25(22,23)24)12-5-2-6-14(20)16(12)13/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChI Key:
BQIWYVMPXKIIEK-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)C(=O)Nc1ccc(c2c1c(O)ccc2)S(=O)(=O)O
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.062g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.368g/mol
Monoisotopic Mass:
358.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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