| CAS Number | 1095544-87-8 |
| Catalog Number | AG009489(AGN-PC-0WRA9W) |
| Chemical Name | 4-Bromo-1-methanesulfonyl-2-methoxybenzene |
| IUPAC Name | 4-bromo-2-methoxy-1-methylsulfonylbenzene |
| InChI | InChI=1S/C8H9BrO3S/c1-12-7-5-6(9)3-4-8(7)13(2,10)11/h3-5H,1-2H3 |
| InChI Key | QGNIWQCWBWMTPC-UHFFFAOYSA-N |
| MDL Number | MFCD22586698 |
| Molecular Formula | C8H9BrO3S |
| Molecular Weight | 265.1243 |
| SMILES | COC1=CC(Br)=CC=C1S(C)(=O)=O |
| Synonyms | 4-Bromo-1-methanesulfonyl-2-methoxybenzene,
1095544-87-8,
SCHEMBL4573199,
QGNIWQCWBWMTPC-UHFFFAOYSA-N,
ZINC95496057,
AKOS024438359,
4-bromo-2-methoxy-1-(methylsulfonyl)benzene,
Z7278,
4-broManyl-2-Methoxy-1-Methylsulfonyl-benzene,
C8H9BrO3S,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.121g/mol |
| Monoisotopic Mass | 263.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number