Methyl 5-bromo-2,4-difluorobenzoate - CAS 351325-31-0
Catalog: |
BB059844 |
Product Name: |
Methyl 5-bromo-2,4-difluorobenzoate |
CAS: |
351325-31-0 |
Synonyms: |
methyl 5-bromo-2,4-difluorobenzoate; Benzoic acid, 5-bromo-2,4-difluoro-, methyl ester; 5-BroMo-2,4-difluoro-benzoic acid Methyl ester; methyl5-bromo-2,4-difluorobenzoate |
IUPAC Name: | methyl 5-bromo-2,4-difluorobenzoate |
Description: | Methyl 5-bromo-2,4-difluorobenzoate |
Molecular Weight: | 251.03 |
Molecular Formula: | C8H5BrF2O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1F)F)Br |
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 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 249.9441 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 249.9441 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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