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87416-70-4 | Pyridine, 2-[(trichloromethyl)sulfonyl]-
CAS No: 87416-70-4 Catalog No: AG004GEB MDL No:
Product Description
Catalog Number:
AG004GEB
Chemical Name:
Pyridine, 2-[(trichloromethyl)sulfonyl]-
CAS Number:
87416-70-4
Molecular Formula:
C6H4Cl3NO2S
Molecular Weight:
260.5255
IUPAC Name:
2-(trichloromethylsulfonyl)pyridine
InChI:
InChI=1S/C6H4Cl3NO2S/c7-6(8,9)13(11,12)5-3-1-2-4-10-5/h1-4H
InChI Key:
ODOZHKFTYOFBJG-UHFFFAOYSA-N
SMILES:
O=S(=O)(C(Cl)(Cl)Cl)c1ccccn1
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.903g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.513g/mol
Monoisotopic Mass:
258.903g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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