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123733-06-2 | 2-Naphthalenesulfonic acid, 6-[(2-chloroacetyl)amino]-4-hydroxy-, sodium salt (1:1)
CAS No: 123733-06-2 Catalog No: AG000L18 MDL No:
Product Description
Catalog Number:
AG000L18
Chemical Name:
2-Naphthalenesulfonic acid, 6-[(2-chloroacetyl)amino]-4-hydroxy-, sodium salt (1:1)
CAS Number:
123733-06-2
Molecular Formula:
C12H9ClNNaO5S
Molecular Weight:
337.7113
IUPAC Name:
7-[(2-chloroacetyl)amino]-4-hydroxynaphthalene-2-sulfonic acid
InChI:
InChI=1S/C12H10ClNO5S/c13-6-12(16)14-8-1-2-10-7(3-8)4-9(5-11(10)15)20(17,18)19/h1-5,15H,6H2,(H,14,16)(H,17,18,19)
InChI Key:
CWBJFAHPCUSERS-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1ccc2c(c1)c(O)cc(c2)S(=O)(=O)[O-].[Na+]
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.997g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.724g/mol
Monoisotopic Mass:
314.997g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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