| CAS Number | 1261675-04-0 |
| Catalog Number | AG00HJ2E(AGN-PC-0WR0IN) |
| Chemical Name | 3-Fluoro-2-iodobenzyl bromide |
| IUPAC Name | 1-(bromomethyl)-3-fluoro-2-iodobenzene |
| InChI | InChI=1S/C7H5BrFI/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2 |
| InChI Key | LQOWWTYOLGCJNG-UHFFFAOYSA-N |
| MDL Number | MFCD18396958 |
| Molecular Formula | C7H5BrFI |
| Molecular Weight | 314.9215 |
| SMILES | FC1=C(C(CBr)=CC=C1)I |
| Synonyms | 3-Fluoro-2-iodobenzyl bromide,
1261675-04-0,
1-(bromomethyl)-3-fluoro-2-iodobenzene,
MFCD18396958,
ZINC95917625,
PS-10034,
N/A,
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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 | 313.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.924g/mol |
| Monoisotopic Mass | 313.86g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number