| CAS Number | 1065074-37-4 |
| Catalog Number | AG0083JZ(AGN-PC-0WNM41) |
| Chemical Name | 1-(4-Bromo-3-trifluoromethylphenylsulfonyl)piperidine |
| IUPAC Name | 1-[4-bromo-3-(trifluoromethyl)phenyl]sulfonylpiperidine |
| InChI | InChI=1S/C12H13BrF3NO2S/c13-11-5-4-9(8-10(11)12(14,15)16)20(18,19)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2 |
| InChI Key | HVQPWCCSTIBZKF-UHFFFAOYSA-N |
| MDL Number | MFCD11053849 |
| Molecular Formula | C12H13BrF3NO2S |
| Molecular Weight | 372.2013 |
| SMILES | O=S(N1CCCCC1)(C2=CC=C(Br)C(C(F)(F)F)=C2)=O |
| Synonyms | 1065074-37-4,
1-((4-Bromo-3-(trifluoromethyl)phenyl)sulfonyl)piperidine,
1-(4-BROMO-3-TRIFLUOROMETHYLPHENYLSULFONYL)PIPERIDINE,
ACMC-2098kj,
CTK4A4577,
DTXSID20674606,
ANW-15377,
MFCD11053849,
ZINC38537118,
AKOS015835230,
RTR-001283,
AJ-95899,
AX8229691,
TR-001283,
ST24020961,
Z6872,
A-4383,
I14-24614,
1-((4-Bromo-3-(trifluoromethyl)-phenyl)sulfonyl)piperidine,
1-[4-Bromo-3-(trifluoromethyl)benzene-1-sulfonyl]piperidine,
C12H13BrF3NO2S,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 370.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 372.2g/mol |
| Monoisotopic Mass | 370.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number