| CAS Number | 1394291-47-4 |
| Catalog Number | AG001B0G |
| Chemical Name | Benzene, 5-bromo-1-fluoro-2-iodo-3-methoxy- |
| IUPAC Name | 5-bromo-1-fluoro-2-iodo-3-methoxybenzene |
| InChI | InChI=1S/C7H5BrFIO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,1H3 |
| InChI Key | OCZGPFJUJPKXEC-UHFFFAOYSA-N |
| MDL Number | MFCD22543687 |
| Molecular Formula | C7H5BrFIO |
| Molecular Weight | 330.9209 |
| SMILES | COC1=CC(=CC(=C1I)F)Br |
| Synonyms | 5-Bromo-3-fluoro-2-iodoanisole,
1394291-47-4,
5-Bromo-1-fluoro-2-iodo-3-methoxybenzene,
SCHEMBL16269387,
OCZGPFJUJPKXEC-UHFFFAOYSA-N,
MFCD22543687,
ZINC90413225,
FCH2279691,
PC501280,
PS-10176,
5-bromo-1-fluoro-2-iodo-3-methoxy-benzene,
Z0172,
Q-8073,
C7H5BrFIO,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.855g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 330.923g/mol |
| Monoisotopic Mass | 329.855g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number