5-Chloro-8-methylquinoline-3-carboxylic acid - CAS 948294-24-4
Catalog: |
BB041549 |
Product Name: |
5-Chloro-8-methylquinoline-3-carboxylic acid |
CAS: |
948294-24-4 |
Synonyms: |
5-chloro-8-methylquinoline-3-carboxylic acid |
IUPAC Name: | 5-chloro-8-methylquinoline-3-carboxylic acid |
Description: | 5-Chloro-8-methylquinoline-3-carboxylic acid (CAS# 948294-24-4) is a useful research chemical. |
Molecular Weight: | 221.64 |
Molecular Formula: | C11H8ClNO2 |
Canonical SMILES: | CC1=C2C(=C(C=C1)Cl)C=C(C=N2)C(=O)O |
InChI: | InChI=1S/C11H8ClNO2/c1-6-2-3-9(12)8-4-7(11(14)15)5-13-10(6)8/h2-5H,1H3,(H,14,15) |
InChI Key: | CMJTVPDKPRZDHT-UHFFFAOYSA-N |
Boiling Point: | 396.2 ℃ at 760 mmHg |
Density: | 1.406 g/cm3 |
LogP: | 2.89480 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Complexity: | 259 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 221.0243562 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 221.0243562 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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