| CAS Number | 1427440-57-0 |
| Catalog Number | AG00HWLK(AGN-PC-0WR87R) |
| Chemical Name | Methyl 4-bromo-3-chloro-2-fluorobenzoate |
| IUPAC Name | methyl 4-bromo-3-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C8H5BrClFO2/c1-13-8(12)4-2-3-5(9)6(10)7(4)11/h2-3H,1H3 |
| InChI Key | DORFWUUEBUVBPV-UHFFFAOYSA-N |
| MDL Number | MFCD23707534 |
| Molecular Formula | C8H5BrClFO2 |
| Molecular Weight | 267.4795 |
| SMILES | BrC1=C(C(=C(C(=O)OC)C=C1)F)Cl |
| Synonyms | Methyl 4-bromo-3-chloro-2-fluorobenzoate,
1427440-57-0,
SCHEMBL17711410,
MFCD23707534,
ZINC96024841,
AKOS026671999,
NE39134,
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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 | 3.2 |
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Certificate of Analysis
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