| CAS Number | 741716-19-8 |
| Catalog Number | AG00ICHI(AGN-PC-0WQXEX) |
| Chemical Name | 1-Fluoro-2-iodo-4-methoxy-5-methylbenzene |
| IUPAC Name | 1-fluoro-2-iodo-4-methoxy-5-methylbenzene |
| InChI | InChI=1S/C8H8FIO/c1-5-3-6(9)7(10)4-8(5)11-2/h3-4H,1-2H3 |
| InChI Key | BSCRXLNFUWALFO-UHFFFAOYSA-N |
| MDL Number | MFCD19440267 |
| Molecular Formula | C8H8FIO |
| Molecular Weight | 266.0514 |
| SMILES | COC1=C(C)C=C(F)C(I)=C1 |
| Synonyms | 4-Fluoro-5-iodo-2-methylanisole,
741716-19-8,
1-fluoro-2-iodo-4-methoxy-5-methylbenzene,
SCHEMBL2908385,
BSCRXLNFUWALFO-UHFFFAOYSA-N,
MFCD19440267,
ZINC97437913,
FCH1358703,
PC500306,
PS-11758,
1-Methoxy-4-fluoro-5-iodo-2-methylbenzene,
1-fluoro-2-iodo-4-methoxy-5-methyl-benzene,
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| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.054g/mol |
| Monoisotopic Mass | 265.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number