| CAS Number | 958458-89-4 |
| Catalog Number | AG003ACD(AGN-PC-0WAKYN) |
| Chemical Name | 1-Bromo-2-fluoro-3-iodobenzene |
| IUPAC Name | 1-bromo-2-fluoro-3-iodobenzene |
| InChI | InChI=1S/C6H3BrFI/c7-4-2-1-3-5(9)6(4)8/h1-3H |
| InChI Key | AEBOPKUWEXVTNN-UHFFFAOYSA-N |
| MDL Number | MFCD13194483 |
| Molecular Formula | C6H3BrFI |
| Molecular Weight | 300.8949 |
| SMILES | FC1=C(Br)C=CC=C1I |
| Synonyms | 1-bromo-2-fluoro-3-iodobenzene,
958458-89-4,
3-Bromo-2-fluoroiodobenzene,
SCHEMBL8846834,
KS-00000LRI,
DTXSID80597726,
MFCD13194483,
ZINC71792116,
AKOS027386430,
NE55243,
AK411676,
DS-18698,
SC-82510,
CS-0030439,
FT-0710588,
Z1741973724,
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| Complexity | 99.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.845g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.897g/mol |
| Monoisotopic Mass | 299.845g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number