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82758-42-7 | O-ANISYL 6-DIAZO-5,6-DIHYDRO-5-OXONAPHTHALENE-1-SULFONATE
CAS No: 82758-42-7 Catalog No: AG004UD9 MDL No:
Product Description
Catalog Number:
AG004UD9
Chemical Name:
O-ANISYL 6-DIAZO-5,6-DIHYDRO-5-OXONAPHTHALENE-1-SULFONATE
CAS Number:
82758-42-7
Molecular Formula:
C18H14N2O5S
Molecular Weight:
370.3792
IUPAC Name:
2-diazonio-5-(2-methoxyphenoxy)sulfonylnaphthalen-1-olate
InChI:
InChI=1S/C17H12N2O5S/c1-23-14-6-2-3-7-15(14)24-25(21,22)16-8-4-5-12-11(16)9-10-13(19-18)17(12)20/h2-10H,1H3
InChI Key:
QAILIPQASZHXES-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=C1C=Cc2c(C1=O)cccc2S(=O)(=O)OCc1ccc(cc1)OC
EC Number:
280-019-0
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.047g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.352g/mol
Monoisotopic Mass:
356.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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