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119-40-4 | 4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid
CAS No: 119-40-4 Catalog No: AG003ND2 MDL No:MFCD00035714
Product Description
Catalog Number:
AG003ND2
Chemical Name:
4-Hydroxy-7-(phenylamino)naphthalene-2-sulfonic acid
CAS Number:
119-40-4
Molecular Formula:
C16H13NO4S
Molecular Weight:
315.3437
MDL Number:
MFCD00035714
IUPAC Name:
7-anilino-4-hydroxynaphthalene-2-sulfonic acid
InChI:
InChI=1S/C16H13NO4S/c18-16-10-14(22(19,20)21)9-11-8-13(6-7-15(11)16)17-12-4-2-1-3-5-12/h1-10,17-18H,(H,19,20,21)
InChI Key:
YGNDWDUEMICDLW-UHFFFAOYSA-N
SMILES:
Oc1cc(cc2c1ccc(c2)Nc1ccccc1)S(=O)(=O)O
EC Number:
204-320-3
UNII:
758U5197SS
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.057g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.343g/mol
Monoisotopic Mass:
315.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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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