| CAS Number | 444581-50-4 |
| Catalog Number | AG00DKKB(AGN-PC-0WQWSH) |
| Chemical Name | 1-Bromo-2-(isobutylsulfonyl)benzene |
| IUPAC Name | 1-bromo-2-(2-methylpropylsulfonyl)benzene |
| InChI | InChI=1S/C10H13BrO2S/c1-8(2)7-14(12,13)10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3 |
| InChI Key | KPCSHQVOFNXEHG-UHFFFAOYSA-N |
| MDL Number | MFCD21332954 |
| Molecular Formula | C10H13BrO2S |
| Molecular Weight | 277.1780 |
| SMILES | CC(CS(=O)(=O)c1ccccc1Br)C |
| Synonyms | 1-Bromo-2-(isobutylsulfonyl)benzene,
444581-50-4,
ACMC-209jy6,
SCHEMBL5340247,
CTK8B1706,
DTXSID60591707,
KPCSHQVOFNXEHG-UHFFFAOYSA-N,
ANW-30124,
MFCD21332954,
ZINC85482117,
AKOS025295334,
TC-118869,
V5984,
1-Bromo-2-(2-methylpropane-1-sulfonyl)benzene,
K-8958,
1-bromo-2-(2-methyl-propane-1-sulfonyl)-benzene,
C10H13BrO2S,
|
| Complexity | 266 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.176g/mol |
| Monoisotopic Mass | 275.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number