| CAS Number | 351325-31-0 |
| Catalog Number | AG00CLCH(AGN-PC-01NTFM) |
| Chemical Name | 5-BroMo-2,4-difluoro-benzoic acid Methyl ester |
| IUPAC Name | methyl 5-bromo-2,4-difluorobenzoate |
| InChI | InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-5(9)7(11)3-6(4)10/h2-3H,1H3 |
| InChI Key | QISCYVLBJDKXOZ-UHFFFAOYSA-N |
| MDL Number | MFCD16038827 |
| Molecular Formula | C8H5BrF2O2 |
| Molecular Weight | 251.0249 |
| SMILES | COC(=O)c1cc(Br)c(cc1F)F |
| Synonyms | methyl 5-bromo-2,4-difluorobenzoate,
351325-31-0,
Benzoic acid, 5-bromo-2,4-difluoro-, methyl ester,
5-BroMo-2,4-difluoro-benzoic acid Methyl ester,
SCHEMBL365953,
QISCYVLBJDKXOZ-UHFFFAOYSA-N,
MFCD16038827,
ZINC88190244,
AKOS017553669,
NE35876,
CS-0037823,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.027g/mol |
| Monoisotopic Mass | 249.944g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number