| CAS Number | 1951439-80-7 |
| Catalog Number | AG00I36W(AGN-PC-0WQZ88) |
| Chemical Name | 3,5-Dibromo-2,4,6-trifluorobenzoic acid |
| IUPAC Name | 3,5-dibromo-2,4,6-trifluorobenzoic acid |
| InChI | InChI=1S/C7HBr2F3O2/c8-2-4(10)1(7(13)14)5(11)3(9)6(2)12/h(H,13,14) |
| InChI Key | ODMZNZZKRLYCPN-UHFFFAOYSA-N |
| MDL Number | MFCD29764381 |
| Molecular Formula | C7HBr2F3O2 |
| Molecular Weight | 333.8848 |
| SMILES | OC(=O)c1c(F)c(Br)c(c(c1F)Br)F |
| Synonyms | 3,5-Dibromo-2,4,6-trifluorobenzoic acid,
1951439-80-7,
ZINC390824596,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.827g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.886g/mol |
| Monoisotopic Mass | 331.83g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number