2-Chloro-6-methoxy-3-methylquinoline - CAS 123990-76-1
Catalog: |
BB005777 |
Product Name: |
2-Chloro-6-methoxy-3-methylquinoline |
CAS: |
123990-76-1 |
Synonyms: |
2-chloro-6-methoxy-3-methylquinoline |
IUPAC Name: | 2-chloro-6-methoxy-3-methylquinoline |
Description: | 2-Chloro-6-methoxy-3-methylquinoline (CAS# 123990-76-1) is a useful research chemical. |
Molecular Weight: | 207.66 |
Molecular Formula: | C11H10ClNO |
Canonical SMILES: | CC1=C(N=C2C=CC(=CC2=C1)OC)Cl |
InChI: | InChI=1S/C11H10ClNO/c1-7-5-8-6-9(14-2)3-4-10(8)13-11(7)12/h3-6H,1-2H3 |
InChI Key: | TVLTWDTZDXOKCD-UHFFFAOYSA-N |
Boiling Point: | 328.2 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.228 g/cm3 |
LogP: | 3.20520 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CA-2976369-A1 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
EP-3267794-A1 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
US-10336721-B2 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
US-2018179176-A1 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
US-2019276425-A1 | Biaryltriazole inhibitors of macrophage migration inhibitory factor | 20150213 |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0450916 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0450916 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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Related Functional Groups
Quinoline/Isoquinoline
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