| CAS Number | 1146355-33-0 |
| Catalog Number | AG000EVL(AGN-PC-0WAP10) |
| Chemical Name | 3-Methoxy-5-(trifluoromethyl)benzene-1-sulfonyl chloride |
| IUPAC Name | 3-methoxy-5-(trifluoromethyl)benzenesulfonyl chloride |
| InChI | InChI=1S/C8H6ClF3O3S/c1-15-6-2-5(8(10,11)12)3-7(4-6)16(9,13)14/h2-4H,1H3 |
| InChI Key | JCJFHWJIWNJCOC-UHFFFAOYSA-N |
| MDL Number | MFCD01632527 |
| Molecular Formula | C8H6ClF3O3S |
| Molecular Weight | 274.6446 |
| SMILES | COC1=CC(S(Cl)(=O)=O)=CC(C(F)(F)F)=C1 |
| Synonyms | 1146355-33-0,
3-Methoxy-5-(trifluoromethyl)benzene-1-sulfonyl chloride,
3-methoxy-5-(trifluoromethyl)benzenesulphonyl chloride,
3-METHOXY-5-(TRIFLUOROMETHYL)BENZENESULFONYL CHLORIDE,
3-Methoxy-5-(trifluoromethyl)-benzenesulfonyl chloride,
SCHEMBL701972,
CTK4A8819,
DTXSID20693493,
JCJFHWJIWNJCOC-UHFFFAOYSA-N,
FC0923,
MFCD18072526,
AKOS022179678,
ZINC100113279,
AB71829,
JS-5195,
3-Methoxy-5-trifluoromethylbenzenesulfonyl chloride,
3-methoxy-5-trifluoromethyl-benzenesulfonyl chloride,
Benzenesulfonyl chloride, 3-methoxy-5-(trifluoromethyl)-,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.968g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.638g/mol |
| Monoisotopic Mass | 273.968g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H317-H319
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number