| CAS Number | 214614-62-7 |
| Catalog Number | AG00I45G(AGN-PC-0WG3Z1) |
| Chemical Name | 1-(2-Bromoethyl)-4-(methanesulfonyl)benzene |
| IUPAC Name | 1-(2-bromoethyl)-4-methylsulfonylbenzene |
| InChI | InChI=1S/C9H11BrO2S/c1-13(11,12)9-4-2-8(3-5-9)6-7-10/h2-5H,6-7H2,1H3 |
| InChI Key | QXLYKMSRNVSHHJ-UHFFFAOYSA-N |
| MDL Number | MFCD12025157 |
| Molecular Formula | C9H11BrO2S |
| Molecular Weight | 263.1514 |
| SMILES | BrCCc1ccc(cc1)S(=O)(=O)C |
| Synonyms | 1-(2-BROMO-ETHYL)-4-METHANESULFONYL-BENZENE,
214614-62-7,
1-(2-Bromoethyl)-4-(methylsulfonyl)benzene,
SCHEMBL1738692,
QXLYKMSRNVSHHJ-UHFFFAOYSA-N,
4-methane-sulfonylphenethyl bromide,
MFCD12025157,
ZINC82571312,
AKOS022789316,
AB65251,
AM805404,
CS-0035449,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.149g/mol |
| Monoisotopic Mass | 261.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number