2-Chloro-5,8-dimethylquinoline-3-carbonitrile - CAS 351363-12-7
Catalog: |
BB022492 |
Product Name: |
2-Chloro-5,8-dimethylquinoline-3-carbonitrile |
CAS: |
351363-12-7 |
Synonyms: |
2-chloro-5,8-dimethylquinoline-3-carbonitrile |
IUPAC Name: | 2-chloro-5,8-dimethylquinoline-3-carbonitrile |
Description: | 2-Chloro-5,8-dimethylquinoline-3-carbonitrile (CAS# 351363-12-7) is a useful research chemical. |
Molecular Weight: | 216.67 |
Molecular Formula: | C12H9ClN2 |
Canonical SMILES: | CC1=C2C=C(C(=NC2=C(C=C1)C)Cl)C#N |
InChI: | InChI=1S/C12H9ClN2/c1-7-3-4-8(2)11-10(7)5-9(6-14)12(13)15-11/h3-5H,1-2H3 |
InChI Key: | SXMZARFPNUVUNV-UHFFFAOYSA-N |
Boiling Point: | 385.3 °C at 760 mmHg |
Density: | 1.27 g/cm3 |
MDL: | MFCD02741714 |
LogP: | 3.37668 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 |
Signal Word: | Danger |
Complexity: | 283 |
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: | 0 |
Topological Polar Surface Area: | 36.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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Quinoline/Isoquinoline
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