Methyl 3-Bromo-6-fluoro-2-methylbenzoate - CAS 1415045-22-5
Catalog: |
BB009184 |
Product Name: |
Methyl 3-Bromo-6-fluoro-2-methylbenzoate |
CAS: |
1415045-22-5 |
Synonyms: |
3-bromo-6-fluoro-2-methylbenzoic acid methyl ester; methyl 3-bromo-6-fluoro-2-methylbenzoate |
IUPAC Name: | methyl 3-bromo-6-fluoro-2-methylbenzoate |
Description: | Methyl 3-Bromo-6-fluoro-2-methylbenzoate (CAS# 1415045-22-5 ) is a useful research chemical. |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | CC1=C(C=CC(=C1C(=O)OC)F)Br |
InChI: | InChI=1S/C9H8BrFO2/c1-5-6(10)3-4-7(11)8(5)9(12)13-2/h3-4H,1-2H3 |
InChI Key: | KTOIOMXPPXSFNN-UHFFFAOYSA-N |
LogP: | 2.68320 |
Publication Number | Title | Priority Date |
WO-2021005586-A1 | Tricyclic akr1c3 dependent kars inhibitors | 20190801 |
WO-2020011246-A1 | Benzene ring-containing compound, preparation method therefor and application thereof | 20180713 |
EP-3738961-A1 | Heterocyclic compound as csf-1r inhibitor and use thereof | 20180103 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96917 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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