| CAS Number | 450-90-8 |
| Catalog Number | AG01DNJB(AGN-PC-0BL808) |
| Chemical Name | Benzene, 4-fluoro-1-iodo-2-methoxy- |
| IUPAC Name | 4-fluoro-1-iodo-2-methoxybenzene |
| InChI | InChI=1S/C7H6FIO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3 |
| InChI Key | MBHUTPUUHOAWCJ-UHFFFAOYSA-N |
| MDL Number | MFCD18396916 |
| Molecular Formula | C7H6FIO |
| Molecular Weight | 252.0248 |
| SMILES | COC1=CC(F)=CC=C1I |
| Synonyms | 5-Fluoro-2-iodoanisole,
450-90-8,
4-Fluoro-1-iodo-2-methoxybenzene,
Benzene, 4-fluoro-1-iodo-2-methoxy-,
SCHEMBL1361002,
1-Iodo-2-methoxy-4-fluorobenzene,
MFCD18396916,
ZINC79387460,
AKOS027386511,
FCH1371784,
PC53271,
PS-11871,
4-?Fluoro-?1-?iodo-?2-?methoxy-benzene,
Z0604,
Q-8149,
C7H6FIO,
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| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.027g/mol |
| Monoisotopic Mass | 251.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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