| CAS Number | 856060-51-0 |
| Catalog Number | AG00513W(AGN-PC-0WNM4Q) |
| Chemical Name | 1-Bromo-4-(isobutylsulfonyl)benzene |
| IUPAC Name | 1-bromo-4-(2-methylpropylsulfonyl)benzene |
| InChI | InChI=1S/C10H13BrO2S/c1-8(2)7-14(12,13)10-5-3-9(11)4-6-10/h3-6,8H,7H2,1-2H3 |
| InChI Key | PKROCKAQCTYPMT-UHFFFAOYSA-N |
| MDL Number | MFCD20441890 |
| Molecular Formula | C10H13BrO2S |
| Molecular Weight | 277.1780 |
| SMILES | c1c(ccc(c1)Br)S(=O)(=O)CC(C)C |
| Synonyms | 1-Bromo-4-(isobutylsulfonyl)benzene,
856060-51-0,
1-Bromo-4-[(2-methylpropane)sulfonyl]benzene,
4-Bromophenylisobutyl sulfone,
SCHEMBL330253,
CTK8B6517,
DTXSID00718416,
PKROCKAQCTYPMT-UHFFFAOYSA-N,
ANW-53583,
KM2335,
MFCD20441890,
ZINC71494884,
AKOS015888817,
AJ-118093,
TC-142328,
ST24021265,
V8119,
1-Bromo-4-(2-methylpropane-1-sulfonyl)benzene,
I01-16337,
C10H13BrO2S,
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| Complexity | 258 |
| 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