5,8-Difluoro-4-hydroxyquinoline - CAS 874781-10-9
Catalog: |
BB038476 |
Product Name: |
5,8-Difluoro-4-hydroxyquinoline |
CAS: |
874781-10-9 |
Synonyms: |
5,8-difluoro-1H-quinolin-4-one |
IUPAC Name: | 5,8-difluoro-1H-quinolin-4-one |
Description: | 5,8-Difluoro-4-hydroxyquinoline (CAS# 874781-10-9) is a useful research chemical. |
Molecular Weight: | 181.14 |
Molecular Formula: | C9H5F2NO |
Canonical SMILES: | C1=CC(=C2C(=C1F)C(=O)C=CN2)F |
InChI: | InChI=1S/C9H5F2NO/c10-5-1-2-6(11)9-8(5)7(13)3-4-12-9/h1-4H,(H,12,13) |
InChI Key: | YQQXQAYFERRWTG-UHFFFAOYSA-N |
Boiling Point: | 319.1 °C at 760 mmHg |
Density: | 1.465 g/cm3 |
LogP: | 2.21860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2014352008-A1 | Tricyclic piperidine compounds | 20131119 |
AU-2014352008-B2 | Tricyclic piperidine compounds | 20131119 |
CA-2926600-A1 | Tricyclic piperidine compounds | 20131119 |
EA-029391-B1 | Tricyclic piperidine compounds | 20131119 |
EP-3071578-A1 | Tricyclic piperidine compounds | 20131119 |
Complexity: | 254 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.03392011 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.03392011 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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