| CAS Number | 1965309-05-0 |
| Catalog Number | AG00ASX1(AGN-PC-0WNGHZ) |
| Chemical Name | 2-IODO-1-METHANESULFONYL-4-METHOXY-BENZENE |
| IUPAC Name | 2-iodo-4-methoxy-1-methylsulfonylbenzene |
| InChI | InChI=1S/C8H9IO3S/c1-12-6-3-4-8(7(9)5-6)13(2,10)11/h3-5H,1-2H3 |
| InChI Key | KMEZPWYKZGQQOQ-UHFFFAOYSA-N |
| MDL Number | MFCD30181850 |
| Molecular Formula | C8H9IO3S |
| Molecular Weight | 312.1247 |
| SMILES | O=S(C1=CC=C(OC)C=C1I)(C)=O |
| Synonyms | 2-Iodo-4-methoxy-1-(methylsulfonyl)benzene,
1965309-05-0,
2-Iodo-1-methanesulfonyl-4-methoxy-benzene,
KS-00000TZH,
MFCD30181850,
AKOS030632888,
ZINC575440675,
ACN-045357,
AK554552,
DS-19637,
CS-0041043,
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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 | 311.932g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.121g/mol |
| Monoisotopic Mass | 311.932g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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