3-Bromo-4'-fluorodiphenyl ether - CAS 50904-38-6
Catalog: |
BB027254 |
Product Name: |
3-Bromo-4'-fluorodiphenyl ether |
CAS: |
50904-38-6 |
Synonyms: |
1-bromo-3-(4-fluorophenoxy)benzene |
IUPAC Name: | 1-bromo-3-(4-fluorophenoxy)benzene |
Description: | 3-Bromo-4'-fluorodiphenyl ether (CAS# 50904-38-6 ) is a useful research chemical. |
Molecular Weight: | 267.09 |
Molecular Formula: | C12H8BrFO |
Canonical SMILES: | C1=CC(=CC(=C1)Br)OC2=CC=C(C=C2)F |
InChI: | InChI=1S/C12H8BrFO/c13-9-2-1-3-12(8-9)15-11-6-4-10(14)5-7-11/h1-8H |
InChI Key: | ADGMRCLDJLCOKF-UHFFFAOYSA-N |
Boiling Point: | 220 ℃ / 25 mmHg (lit.) |
Density: | 1.48 g/cm3 |
MDL: | MFCD00142589 |
LogP: | 4.38050 |
GHS Hazard Statement: | H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2016229830-A1 | Glucosylceramide synthase inhibitors for the treatment of diseases | 20130920 |
WO-2015042397-A1 | Glucosylceramide synthase inhibitors for the treatment of diseases | 20130920 |
AU-2014231567-A1 | Pyrrolo[2,3-b]pyridine CDK9 kinase inhibitors | 20130314 |
EP-2970278-A1 | Pyrrolo[2,3-b]pyridine cdk9 kinase inhibitors | 20130314 |
US-2016060257-A1 | Pyrrolo [2,3-b] pyridine cdk9 kinase inhibitors | 20130314 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.97426 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.97426 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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