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116369-73-4 | 2-Naphthalenol, 1-[2-[3-(ethenylsulfonyl)-4-methoxyphenyl]diazenyl]-
CAS No: 116369-73-4 Catalog No: AG000CBU MDL No:
Product Description
Catalog Number:
AG000CBU
Chemical Name:
2-Naphthalenol, 1-[2-[3-(ethenylsulfonyl)-4-methoxyphenyl]diazenyl]-
CAS Number:
116369-73-4
Molecular Formula:
C19H16N2O4S
Molecular Weight:
368.4063
IUPAC Name:
1-[(3-ethenylsulfonyl-4-methoxyphenyl)diazenyl]naphthalen-2-ol
InChI:
InChI=1S/C19H16N2O4S/c1-3-26(23,24)18-12-14(9-11-17(18)25-2)20-21-19-15-7-5-4-6-13(15)8-10-16(19)22/h3-12,22H,1H2,2H3
InChI Key:
GOEYLKZMBIXXQU-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)C=C)N=Nc1c(O)ccc2c1cccc2
Properties
Complexity:
616
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.083g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
368.407g/mol
Monoisotopic Mass:
368.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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