| CAS Number | 1345471-26-2 |
| Catalog Number | AG0070DH(AGN-PC-0BGIAI) |
| Chemical Name | 1-Bromo-3-(propane-2-sulfinyl)benzene |
| IUPAC Name | 1-bromo-3-propan-2-ylsulfinylbenzene |
| InChI | InChI=1S/C9H11BrOS/c1-7(2)12(11)9-5-3-4-8(10)6-9/h3-7H,1-2H3 |
| InChI Key | LRQCRBOMTRAHLA-UHFFFAOYSA-N |
| MDL Number | MFCD20441853 |
| Molecular Formula | C9H11BrOS |
| Molecular Weight | 247.1520 |
| SMILES | Brc1cccc(c1)S(=O)C(C)C |
| Synonyms | 1-Bromo-3-(propane-2-sulfinyl)benzene,
1345471-26-2,
ACMC-209bv6,
CTK8B0229,
DTXSID00718350,
ANW-19648,
MFCD20441853,
AKOS025294340,
TC-108393,
Z9771,
K-4242,
C9H11BrOS,
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| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.15g/mol |
| Monoisotopic Mass | 245.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number