| CAS Number | 85233-13-2 |
| Catalog Number | AG00IDLD |
| Chemical Name | 3,5-Dibromo-2-fluorotoluene |
| IUPAC Name | 1,5-dibromo-2-fluoro-3-methylbenzene |
| InChI | InChI=1S/C7H5Br2F/c1-4-2-5(8)3-6(9)7(4)10/h2-3H,1H3 |
| InChI Key | FGAFUBIRVFOJQI-UHFFFAOYSA-N |
| MDL Number | MFCD09800763 |
| Molecular Formula | C7H5Br2F |
| Molecular Weight | 267.9210 |
| SMILES | c1(cc(c(c(c1)Br)F)C)Br |
| Synonyms | 3,5-Dibromo-2-fluorotoluene,
85233-13-2,
SCHEMBL13550087,
ZINC63339584,
|
| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.872g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.923g/mol |
| Monoisotopic Mass | 265.874g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number