| CAS Number | 1299474-17-1 |
| Catalog Number | AG000TT0(AGN-PC-0WAJQI) |
| Chemical Name | 1-Bromo-2-(ethanesulfonyl)benzene |
| IUPAC Name | 1-bromo-2-ethylsulfonylbenzene |
| InChI | InChI=1S/C8H9BrO2S/c1-2-12(10,11)8-6-4-3-5-7(8)9/h3-6H,2H2,1H3 |
| InChI Key | PIZRUAWFDMCXDV-UHFFFAOYSA-N |
| MDL Number | MFCD20502249 |
| Molecular Formula | C8H9BrO2S |
| Molecular Weight | 249.1249 |
| SMILES | CCS(C1=C(Br)C=CC=C1)(=O)=O |
| Synonyms | 1-Bromo-2-(ethanesulfonyl)benzene,
1299474-17-1,
1-bromo-2-(ethylsulfonyl)benzene,
ACMC-209bhe,
SCHEMBL1814352,
CTK8B0035,
DTXSID00712439,
PIZRUAWFDMCXDV-UHFFFAOYSA-N,
ANW-19152,
MFCD20502249,
ZINC60927538,
Benzene, 1-bromo-2-(ethylsulfonyl)-,
DA-12852,
TC-107897,
Z9487,
EN300-95316,
C8H9BrO2S,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.122g/mol |
| Monoisotopic Mass | 247.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319
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Packing Group
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Precautionary statements
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P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362
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UN Code
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Certificate of Analysis
Lot Number