| CAS Number | 874839-13-1 |
| Catalog Number | AG00GVN9(AGN-PC-0WCBCU) |
| Chemical Name | 4-([3-(Trifluoromethyl)pyridin-2-yl]oxy)benzenesulfonyl chloride |
| IUPAC Name | 4-[3-(trifluoromethyl)pyridin-2-yl]oxybenzenesulfonyl chloride |
| InChI | InChI=1S/C12H7ClF3NO3S/c13-21(18,19)9-5-3-8(4-6-9)20-11-10(12(14,15)16)2-1-7-17-11/h1-7H |
| InChI Key | FDAYBQVWHDJJOL-UHFFFAOYSA-N |
| MDL Number | MFCD07774164 |
| Molecular Formula | C12H7ClF3NO3S |
| Molecular Weight | 337.7021 |
| SMILES | C1=CN=C(C(C(F)(F)F)=C1)OC1=CC=C(S(=O)(=O)Cl)C=C1 |
| Synonyms | 874839-13-1,
4-{[3-(trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonyl chloride,
4-{[3-(Trifluoromethyl)pyridin-2-yl]oxy}benzene-1-sulfonyl chloride,
C12H7ClF3NO3S,
CTK7B6909,
DTXSID10670718,
1272AF,
SBB055007,
AKOS025116831,
ZINC100013340,
AS-9600,
PC300799,
DB-076984,
FT-0728967,
chloro{4-[3-(trifluoromethyl)(2-pyridyloxy)]phenyl}sulfone,
4-{[3-(Trifluoromethyl)pyridin-2-yl]oxy}benzenesulphonyl chloride,
4-{[3-(Trifluoromethyl)pyridin-2-yl]oxy}benzenesulfonyl chloride, 97%,
MFCD07774164,
|
| Complexity | 444 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 336.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.697g/mol |
| Monoisotopic Mass | 336.979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number