| CAS Number | 530145-58-5 |
| Catalog Number | AG00KJTP(AGN-PC-0ND4I4) |
| Chemical Name | 2-Bromo-3,4,5-trifluoro-1-iodobenzene |
| IUPAC Name | 4-bromo-1,2,3-trifluoro-5-iodobenzene |
| InChI | InChI=1S/C6HBrF3I/c7-4-3(11)1-2(8)5(9)6(4)10/h1H |
| InChI Key | ZLOJTBMNSZMLBI-UHFFFAOYSA-N |
| MDL Number | MFCD08062431 |
| Molecular Formula | C6HBrF3I |
| Molecular Weight | 336.8758 |
| SMILES | C1(C(F)=C(F)C(F)=CC=1I)Br |
| Synonyms | 2-Bromo-3,4,5-trifluoroiodobenzene,
530145-58-5,
ZINC64270018,
AKOS024263851,
FS-4597,
1-iodo-2-bromo-3,4,5-trifluorobenzene,
2-BROMO-3,4,5-TRIFLUORO-1-IODOBENZENE,
CID10936638,
4-bromo-1,2,3-trifluoro-5-iodo-benzene,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.826g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 336.878g/mol |
| Monoisotopic Mass | 335.826g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number