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199929-33-4

199929-33-4 | 2-Naphthalenecarboxamide, 1-hydroxy-N-[4-(methylsulfonyl)phenyl]-

CAS No: 199929-33-4 Catalog No: AG002CGC MDL No:

Product Description

Catalog Number:
AG002CGC
Chemical Name:
2-Naphthalenecarboxamide, 1-hydroxy-N-[4-(methylsulfonyl)phenyl]-
CAS Number:
199929-33-4
Molecular Formula:
C18H15NO4S
Molecular Weight:
341.3810
IUPAC Name:
1-hydroxy-N-(4-methylsulfonylphenyl)naphthalene-2-carboxamide
InChI:
InChI=1S/C18H15NO4S/c1-24(22,23)14-9-7-13(8-10-14)19-18(21)16-11-6-12-4-2-3-5-15(12)17(16)20/h2-11,20H,1H3,(H,19,21)
InChI Key:
VBDYOPMZKQMAPM-UHFFFAOYSA-N
SMILES:
O=C(c1ccc2c(c1O)cccc2)Nc1ccc(cc1)S(=O)(=O)C

Properties

Complexity:
548  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.072g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
341.381g/mol
Monoisotopic Mass:
341.072g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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