3-Bromo-4-fluorophenylacetic Acid - CAS 194019-11-9
Catalog: |
BB015030 |
Product Name: |
3-Bromo-4-fluorophenylacetic Acid |
CAS: |
194019-11-9 |
Synonyms: |
2-(3-bromo-4-fluorophenyl)acetic acid; 2-(3-bromo-4-fluorophenyl)acetic acid |
IUPAC Name: | 2-(3-bromo-4-fluorophenyl)acetic acid |
Description: | 3-Bromo-4-fluorophenylacetic Acid (CAS# 194019-11-9) is usedas a reagent in the preparation of 4-oxo-1,4-dihydripyridine-3-carboxamide derivatives as inhibitors of Axl tyrosine kinase and anticancer agents. |
Molecular Weight: | 233.03 |
Molecular Formula: | C8H6BrFO2 |
Canonical SMILES: | C1=CC(=C(C=C1CC(=O)O)Br)F |
InChI: | InChI=1S/C8H6BrFO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12) |
InChI Key: | XXFGIJYSXNXNAU-UHFFFAOYSA-N |
Boiling Point: | 326.8 °C at 760 mmHg |
Density: | 1.697 g/cm3 |
MDL: | MFCD04038373 |
LogP: | 2.21530 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200032002-A | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
WO-2020060112-A1 | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
KR-102130253-B1 | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
KR-20200078465-A | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
TW-202023548-A | Novel thiazole derivatives and pharmaceutically acceptable salts thereof | 20180917 |
Complexity: | 174 |
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: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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