4,5-Dichloro-2-fluorobenzoic Acid - CAS 289039-49-2
Catalog: |
BB020006 |
Product Name: |
4,5-Dichloro-2-fluorobenzoic Acid |
CAS: |
289039-49-2 |
Synonyms: |
4,5-dichloro-2-fluorobenzoic acid; 4,5-dichloro-2-fluorobenzoic acid |
IUPAC Name: | 4,5-dichloro-2-fluorobenzoic acid |
Description: | 4,5-Dichloro-2-fluorobenzoic Acid (CAS# 289039-49-2) is a useful research chemical. |
Molecular Weight: | 209.00 |
Molecular Formula: | C7H3Cl2FO2 |
Canonical SMILES: | C1=C(C(=CC(=C1Cl)Cl)F)C(=O)O |
InChI: | InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12) |
InChI Key: | XFOJZPTYJMXNKK-UHFFFAOYSA-N |
Boiling Point: | 304.6 °C at 760 mmHg |
Density: | 1.606 g/cm3 |
MDL: | MFCD00672988 |
LogP: | 2.83070 |
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-2020140959-A1 | 6-oxo-1,6-dihydropyridazine derivative, preparation method therefor and medical use thereof | 20190104 |
TW-202039443-A | 6-oxo-1,6-dihydropyridazin derivative, a preparation method thereof and a medical use thereof | 20190104 |
CN-112955436-A | 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines | 20190104 |
KR-20210112336-A | 6-oxo-1,6-dihydropyridazine derivatives, methods for their preparation, and medicinal uses thereof | 20190104 |
TW-202031649-A | 1,3,4-Diazolone compound and medicine | 20181115 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.9494129 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.9494129 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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