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62141-80-4

62141-80-4 | 2-Naphthalenesulfonic acid, phenyl ester

CAS No: 62141-80-4 Catalog No: AG0038L3 MDL No:

Product Description

Catalog Number:
AG0038L3
Chemical Name:
2-Naphthalenesulfonic acid, phenyl ester
CAS Number:
62141-80-4
Molecular Formula:
C16H12O3S
Molecular Weight:
284.3297
IUPAC Name:
phenyl naphthalene-2-sulfonate
InChI:
InChI=1S/C16H12O3S/c17-20(18,19-15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-12H
InChI Key:
AMZOVRCWZOIZHH-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc2c(c1)cccc2)Oc1ccccc1

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.051g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.329g/mol
Monoisotopic Mass:
284.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Literature

Title Journal
Phenyl naphthalene-2-sulfonate. Acta crystallographica. Section E, Structure reports online 20081201

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