4-Bromo-2,3-difluorobenzoic Acid - CAS 194804-91-6
Catalog: |
BB015077 |
Product Name: |
4-Bromo-2,3-difluorobenzoic Acid |
CAS: |
194804-91-6 |
Synonyms: |
4-bromo-2,3-difluorobenzoic acid; 4-bromo-2,3-difluorobenzoic acid |
IUPAC Name: | 4-bromo-2,3-difluorobenzoic acid |
Description: | 4-Bromo-2,3-difluorobenzoic Acid (CAS# 194804-91-6) is an intermediate used to prepare quinolonecarboxylic acid derivatives as antibiotics. It can also be used to synthesize anthranilic diamides as inseticides. |
Molecular Weight: | 237.00 |
Molecular Formula: | C7H3BrF2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1C(=O)O)F)F)Br |
InChI: | InChI=1S/C7H3BrF2O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12) |
InChI Key: | IRUDFVTZXQTEFN-UHFFFAOYSA-N |
Boiling Point: | 288.1 °C at 760 mmHg |
Density: | 1.872 g/cm3 |
Appearance: | Solid |
MDL: | MFCD07368121 |
LogP: | 2.42550 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021157684-A1 | Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof | 20200206 |
WO-2021148420-A1 | Novel heterocyclic compounds | 20200122 |
TW-202100532-A | Fused tricyclic compounds | 20190305 |
WO-2020178282-A1 | Fused tricyclic compounds useful as anticancer agents | 20190305 |
CN-113508118-A | Fused tricyclic compounds useful as anticancer agents | 20190305 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.92845 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.92845 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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