4-Bromo-2-fluoro-5-methylbenzoic Acid - CAS 415965-24-1
Catalog: |
BB024909 |
Product Name: |
4-Bromo-2-fluoro-5-methylbenzoic Acid |
CAS: |
415965-24-1 |
Synonyms: |
4-bromo-2-fluoro-5-methylbenzoic acid; 4-bromo-2-fluoro-5-methylbenzoic acid |
IUPAC Name: | 4-bromo-2-fluoro-5-methylbenzoic acid |
Description: | 4-Bromo-2-fluoro-5-methylbenzoic Acid (CAS# 415965-24-1) is a useful research chemical. |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | CC1=C(C=C(C(=C1)C(=O)O)F)Br |
InChI: | InChI=1S/C8H6BrFO2/c1-4-2-5(8(11)12)7(10)3-6(4)9/h2-3H,1H3,(H,11,12) |
InChI Key: | PJJJBQHQICIYJH-UHFFFAOYSA-N |
Boiling Point: | 302.2 °C at 760 mmHg |
Density: | 1.68 g/cm3 |
MDL: | MFCD08458245 |
LogP: | 2.59480 |
Publication Number | Title | Priority Date |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
WO-2021161105-A1 | P2x3 modulators | 20200214 |
WO-2021118906-A1 | Process and intermediate for the preparation of oxetan-2-ylmethanamine | 20191210 |
US-2020407347-A1 | Glucagon-like peptide1 receptor agonists | 20190628 |
WO-2020263695-A1 | Glucagon-like peptide 1 receptor agonists | 20190628 |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.95352 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.95352 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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