1-Fluoro-3-(trifluoromethoxy)benzene - CAS 1077-01-6
Catalog: |
BB002123 |
Product Name: |
1-Fluoro-3-(trifluoromethoxy)benzene |
CAS: |
1077-01-6 |
Synonyms: |
1-fluoro-3-(trifluoromethoxy)benzene; 1-fluoro-3-(trifluoromethoxy)benzene |
IUPAC Name: | 1-fluoro-3-(trifluoromethoxy)benzene |
Description: | 1-Fluoro-3-(trifluoromethoxy)benzene (CAS# 1077-01-6) is a useful research chemical. |
Molecular Weight: | 180.10 |
Molecular Formula: | C7H4F4O |
Canonical SMILES: | C1=CC(=CC(=C1)F)OC(F)(F)F |
InChI: | InChI=1S/C7H4F4O/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H |
InChI Key: | AUKDFDQPJWJEDH-UHFFFAOYSA-N |
Boiling Point: | 96.4 °C at 760 mmHg |
Density: | 1.343 g/cm3 |
Appearance: | Colorless clear liquid |
MDL: | MFCD00236323 |
LogP: | 2.72430 |
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-2021104461-A1 | Diazaindole derivative and use thereof as chk1 inhibitor | 20191129 |
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 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.01982740 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.01982740 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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