Home Sulfos 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-

2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-

CAS No.:
132-87-6
Catalog Number:
AG001018
Molecular Formula:
C17H13NO5S
Molecular Weight:
343.3538
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Product Description
Catalog Number:
AG001018
Chemical Name:
2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-
CAS Number:
132-87-6
Molecular Formula:
C17H13NO5S
Molecular Weight:
343.3538
MDL Number:
MFCD00035838
IUPAC Name:
7-benzamido-4-hydroxynaphthalene-2-sulfonic acid
InChI:
InChI=1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)
InChI Key:
ZLHGMJOGMLVDFS-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc2c(c1)cc(cc2O)S(=O)(=O)O
EC Number:
205-080-2
Properties
Complexity:
552  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.051g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
343.353g/mol
Monoisotopic Mass:
343.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties