| CAS Number | 1543224-54-9 |
| Catalog Number | AG01FGR0(AGN-PC-3H4AKK) |
| Chemical Name | Methyl 3-bromo-6-chloro-2-fluorobenzoate |
| IUPAC Name | methyl 3-bromo-6-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C8H5BrClFO2/c1-13-8(12)6-5(10)3-2-4(9)7(6)11/h2-3H,1H3 |
| InChI Key | XVJYXNMSZNREOX-UHFFFAOYSA-N |
| MDL Number | MFCD28040512 |
| Molecular Formula | C8H5BrClFO2 |
| Molecular Weight | 267.4795 |
| SMILES | BrC=1C(=C(C(=O)OC)C(=CC1)Cl)F |
| Synonyms | Methyl 3-bromo-6-chloro-2-fluorobenzoate,
1543224-54-9,
MFCD28040512,
ZINC75914940,
FCH2569948,
PC500480,
PS-10107,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.478g/mol |
| Monoisotopic Mass | 265.915g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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