| CAS Number | 289039-48-1 |
| Catalog Number | AG002X13(AGN-PC-0WNRE9) |
| Chemical Name | Benzoic acid, 4,5-dibromo-2-fluoro- |
| IUPAC Name | 4,5-dibromo-2-fluorobenzoic acid |
| InChI | InChI=1S/C7H3Br2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12) |
| InChI Key | WQYCLZJOUMEOCB-UHFFFAOYSA-N |
| MDL Number | MFCD00672987 |
| Molecular Formula | C7H3Br2FO2 |
| Molecular Weight | 297.9039 |
| SMILES | c1(c(cc(c(c1)C(=O)O)F)Br)Br |
| Synonyms | 4,5-dibromo-2-fluorobenzoic acid,
289039-48-1,
4,5-dibromo-2-fluoro-benzoic Acid,
AC1MCNQM,
CTK4G2378,
DTXSID70378809,
ZINC2567855,
MFCD00672987,
AKOS022171767,
ACN-053322,
Benzoic acid, 4,5-dibromo-2-fluoro-,
DS-5524,
AJ-41499,
AK136447,
CID2773971,
4,5-DIBROMO-2-FLUOROBENZOICACID,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.846g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.905g/mol |
| Monoisotopic Mass | 295.848g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number