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1286329-70-1 | 2-(Benzenesulfonyl)-3-(trifluoromethyl)pyridine
CAS No: 1286329-70-1 Catalog No: AG01F9SP MDL No:
Product Description
Catalog Number:
AG01F9SP
Chemical Name:
2-(Benzenesulfonyl)-3-(trifluoromethyl)pyridine
CAS Number:
1286329-70-1
Molecular Formula:
C12H8F3NO2S
Molecular Weight:
287.2576
IUPAC Name:
2-(benzenesulfonyl)-3-(trifluoromethyl)pyridine
InChI:
InChI=1S/C12H8F3NO2S/c13-12(14,15)10-7-4-8-16-11(10)19(17,18)9-5-2-1-3-6-9/h1-8H
InChI Key:
VBDRZTAMZLLZMZ-UHFFFAOYSA-N
SMILES:
FC(c1cccnc1S(=O)(=O)c1ccccc1)(F)F
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.023g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.256g/mol
Monoisotopic Mass:
287.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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