| CAS Number | 1345472-21-0 |
| Catalog Number | AG009WX0 |
| Chemical Name | 1-Bromo-5-fluoro-2-iodo-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-5-fluoro-2-iodo-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF4I/c8-4-2-5(9)3(1-6(4)13)7(10,11)12/h1-2H |
| InChI Key | OVWVLQFJUMKKJF-UHFFFAOYSA-N |
| MDL Number | MFCD20441896 |
| Molecular Formula | C7H2BrF4I |
| Molecular Weight | 368.8929 |
| SMILES | Fc1cc(Br)c(cc1C(F)(F)F)I |
| Synonyms | 1345472-21-0,
1-bromo-5-fluoro-2-iodo-4-(trifluoromethyl)benzene,
4-Bromo-2-fluoro-5-iodobenzotrifluoride,
KM4016,
MFCD20441896,
ZINC74937881,
AKOS027263883,
Z9807,
C7H2BrF4I,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 367.832g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.895g/mol |
| Monoisotopic Mass | 367.832g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number