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89770-30-9 | Quinoline, 6-(phenylsulfonyl)-
CAS No: 89770-30-9 Catalog No: AG00877F MDL No:
Product Description
Catalog Number:
AG00877F
Chemical Name:
Quinoline, 6-(phenylsulfonyl)-
CAS Number:
89770-30-9
Molecular Formula:
C15H11NO2S
Molecular Weight:
269.3183
IUPAC Name:
6-(benzenesulfonyl)quinoline
InChI:
InChI=1S/C15H11NO2S/c17-19(18,13-6-2-1-3-7-13)14-8-9-15-12(11-14)5-4-10-16-15/h1-11H
InChI Key:
AVKJUFUGLRRQPA-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)c1ccc2c(c1)cccn2
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.051g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.318g/mol
Monoisotopic Mass:
269.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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