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119-77-7 | 2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-
CAS No: 119-77-7 Catalog No: AG000OZP MDL No:
Product Description
Catalog Number:
AG000OZP
Chemical Name:
2-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-hydroxy-
CAS Number:
119-77-7
Molecular Formula:
C17H14N2O5S
Molecular Weight:
358.3685
IUPAC Name:
7-[(4-aminobenzoyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
InChI:
InChI=1S/C17H14N2O5S/c18-12-3-1-10(2-4-12)17(21)19-13-5-6-15-11(7-13)8-14(9-16(15)20)25(22,23)24/h1-9,20H,18H2,(H,19,21)(H,22,23,24)
InChI Key:
BRIUJVAXLMLKPY-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C(=O)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O
EC Number:
204-350-7
Properties
Complexity:
582
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:
1.7
Literature
| Title | Journal |
|---|---|
| A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ. | PloS one 20120101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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