| CAS Number | 90531-99-0 |
| Catalog Number | AG00IG6H(AGN-PC-03OD8U) |
| Chemical Name | Benzene, 4-bromo-1-methoxy-2-(methylsulfonyl)- |
| IUPAC Name | 4-bromo-1-methoxy-2-methylsulfonylbenzene |
| InChI | InChI=1S/C8H9BrO3S/c1-12-7-4-3-6(9)5-8(7)13(2,10)11/h3-5H,1-2H3 |
| InChI Key | XMGUUWRHYPQTHF-UHFFFAOYSA-N |
| MDL Number | MFCD16250388 |
| Molecular Formula | C8H9BrO3S |
| Molecular Weight | 265.1243 |
| SMILES | BrC1=CC(=C(C=C1)OC)S(=O)(=O)C |
| Synonyms | 90531-99-0,
4-bromo-1-methoxy-2-(methylsulfonyl)benzene,
4-bromo-2-methanesulfonyl-1-methoxybenzene,
Benzene, 4-bromo-1-methoxy-2-(methylsulfonyl)-,
SCHEMBL1790129,
CTK3I1686,
DTXSID20625052,
XMGUUWRHYPQTHF-UHFFFAOYSA-N,
ZINC82163847,
4-bromo-2-methanesulfonyl-1-methoxy-benzene,
4-Bromo-2-(methanesulfonyl)-1-methoxybenzene,
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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 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number