2-Chloro-6-fluoroquinoline-3-carbonitrile - CAS 948291-71-2
Catalog: |
BB041537 |
Product Name: |
2-Chloro-6-fluoroquinoline-3-carbonitrile |
CAS: |
948291-71-2 |
Synonyms: |
2-chloro-6-fluoroquinoline-3-carbonitrile |
IUPAC Name: | 2-chloro-6-fluoroquinoline-3-carbonitrile |
Description: | 2-Chloro-6-fluoroquinoline-3-carbonitrile (CAS# 948291-71-2) is a useful research chemical. |
Molecular Weight: | 206.60 |
Molecular Formula: | C10H4ClFN2 |
Canonical SMILES: | C1=CC2=C(C=C1F)C=C(C(=N2)Cl)C#N |
InChI: | InChI=1S/C10H4ClFN2/c11-10-7(5-13)3-6-4-8(12)1-2-9(6)14-10/h1-4H |
InChI Key: | DSSHKNDTEAQJEZ-UHFFFAOYSA-N |
Boiling Point: | 363.8 °C at 760 mmHg |
Density: | 1.44 g/cm3 |
LogP: | 2.89898 |
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 |
CN-101012224-A | Quinoline derivative, preparation method and medical use thereof | 20070201 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.004704 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.004704 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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