7-Chloro-8-methylquinoline-3-carboxylic acid - CAS 948290-52-6
Catalog: |
BB041522 |
Product Name: |
7-Chloro-8-methylquinoline-3-carboxylic acid |
CAS: |
948290-52-6 |
Synonyms: |
7-chloro-8-methylquinoline-3-carboxylic acid |
IUPAC Name: | 7-chloro-8-methylquinoline-3-carboxylic acid |
Description: | 7-Chloro-8-methylquinoline-3-carboxylic acid (CAS# 948290-52-6) is a useful research chemical. |
Molecular Weight: | 221.64 |
Molecular Formula: | C11H8ClNO2 |
Canonical SMILES: | CC1=C(C=CC2=CC(=CN=C12)C(=O)O)Cl |
InChI: | InChI=1S/C11H8ClNO2/c1-6-9(12)3-2-7-4-8(11(14)15)5-13-10(6)7/h2-5H,1H3,(H,14,15) |
InChI Key: | ZXPHIRMIGFRUSX-UHFFFAOYSA-N |
Boiling Point: | 393.8 °C 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 |
Publication Number | Title | Priority Date |
CN-112939858-A | Process for separating quinmerac and its isomer | 20191210 |
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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