| CAS Number | 861113-45-3 |
| Catalog Number | AG00IDWU(AGN-PC-0WRA3U) |
| Chemical Name | 1-Bromo-4-(cyclohexanesulfonyl)benzene |
| IUPAC Name | 1-bromo-4-cyclohexylsulfonylbenzene |
| InChI | InChI=1S/C12H15BrO2S/c13-10-6-8-12(9-7-10)16(14,15)11-4-2-1-3-5-11/h6-9,11H,1-5H2 |
| InChI Key | GEWOENZUQNEWRY-UHFFFAOYSA-N |
| MDL Number | MFCD04037942 |
| Molecular Formula | C12H15BrO2S |
| Molecular Weight | 303.2153 |
| SMILES | Brc1ccc(cc1)S(=O)(=O)C1CCCCC1 |
| Synonyms | 1-Bromo-4-(cyclohexanesulfonyl)benzene,
861113-45-3,
ACMC-209q8m,
DTXSID60660104,
ZINC2525105,
ANW-38276,
KM2386,
MFCD04037942,
OR7689,
AKOS024438842,
(1-Bromo-4-cyclohexyl)sulphonylbenzene,
TC-127021,
V8161,
C12H15BrO2S,
1-bromo-4-cyclohexylsulfonylbenzene,
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| Complexity | 306 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 301.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.214g/mol |
| Monoisotopic Mass | 301.998g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number