2-Chloro-6-ethylquinoline-3-carbonitrile - CAS 498548-90-6
Catalog: |
BB026843 |
Product Name: |
2-Chloro-6-ethylquinoline-3-carbonitrile |
CAS: |
498548-90-6 |
Synonyms: |
2-chloro-6-ethylquinoline-3-carbonitrile |
IUPAC Name: | 2-chloro-6-ethylquinoline-3-carbonitrile |
Description: | 2-Chloro-6-ethylquinoline-3-carbonitrile (CAS# 498548-90-6) is a useful research chemical. |
Molecular Weight: | 216.67 |
Molecular Formula: | C12H9ClN2 |
Canonical SMILES: | CCC1=CC2=C(C=C1)N=C(C(=C2)C#N)Cl |
InChI: | InChI=1S/C12H9ClN2/c1-2-8-3-4-11-9(5-8)6-10(7-14)12(13)15-11/h3-6H,2H2,1H3 |
InChI Key: | ZZBSVGBZSYQFSD-UHFFFAOYSA-N |
Boiling Point: | 381 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
LogP: | 3.32228 |
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 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.045426 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.045426 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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