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Home > Fluorides > 1215542-63-4
1215542-63-4 | 4-{[2-(Trifluoromethyl)pyrimidin-4-yl]oxy}benzenesulphonyl chloride
CAS No: 1215542-63-4 Catalog No: AG01F5BN MDL No:
Product Description
Catalog Number:
AG01F5BN
Chemical Name:
4-{[2-(Trifluoromethyl)pyrimidin-4-yl]oxy}benzenesulphonyl chloride
CAS Number:
1215542-63-4
Molecular Formula:
C11H6ClF3N2O3S
Molecular Weight:
338.6901
IUPAC Name:
4-[2-(trifluoromethyl)pyrimidin-4-yl]oxybenzenesulfonyl chloride
InChI:
InChI=1S/C11H6ClF3N2O3S/c12-21(18,19)8-3-1-7(2-4-8)20-9-5-6-16-10(17-9)11(13,14)15/h1-6H
InChI Key:
FKZQBWPKXQZPHY-UHFFFAOYSA-N
SMILES:
FC(c1nccc(n1)Oc1ccc(cc1)S(=O)(=O)Cl)(F)F
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.974g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.685g/mol
Monoisotopic Mass:
337.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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