| CAS Number | 1354954-34-9 |
| Catalog Number | AG007LEB(AGN-PC-0WQWSK) |
| Chemical Name | 1-Bromo-2-(propanesulfonyl)benzene |
| IUPAC Name | 1-bromo-2-propylsulfonylbenzene |
| InChI | InChI=1S/C9H11BrO2S/c1-2-7-13(11,12)9-6-4-3-5-8(9)10/h3-6H,2,7H2,1H3 |
| InChI Key | PETUJBQNXFOBJF-UHFFFAOYSA-N |
| MDL Number | MFCD08544533 |
| Molecular Formula | C9H11BrO2S |
| Molecular Weight | 263.1514 |
| SMILES | CCCS(C1=C(Br)C=CC=C1)(=O)=O |
| Synonyms | 1-Bromo-2-(propanesulfonyl)benzene,
1354954-34-9,
1-bromo-2-(propane-1-sulfonyl)benzene,
EN300-95320,
ACMC-209c0r,
SCHEMBL15846216,
CTK8B0347,
DTXSID10712440,
PETUJBQNXFOBJF-UHFFFAOYSA-N,
1-bromo-2-(propylsulfonyl)benzene,
ANW-19849,
MFCD20502251,
ZINC71790775,
FCH1417345,
TC-108594,
Z9933,
C9H11BrO2S,
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| Complexity | 243 |
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number