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83846-93-9 | 1-Naphthalenesulfonicacid, 4-diazo-3,4-dihydro-3-oxo-, 2-methylphenyl ester
CAS No: 83846-93-9 Catalog No: AG0054T7 MDL No:
Product Description
Catalog Number:
AG0054T7
Chemical Name:
1-Naphthalenesulfonicacid, 4-diazo-3,4-dihydro-3-oxo-, 2-methylphenyl ester
CAS Number:
83846-93-9
Molecular Formula:
C17H14N2O4S
Molecular Weight:
342.3691
IUPAC Name:
(2-methylphenyl) 4-diazo-2-oxo-1H-naphthalene-1-sulfonate
InChI:
InChI=1S/C17H14N2O4S/c1-11-6-2-5-9-16(11)23-24(21,22)17-13-8-4-3-7-12(13)14(19-18)10-15(17)20/h2-9,17H,10H2,1H3
InChI Key:
ZHPMRCHJFYQJRH-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1CC(=O)C(c2c1cccc2)S(=O)(=O)Oc1ccccc1C
EC Number:
281-073-8
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.067g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.369g/mol
Monoisotopic Mass:
342.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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