6-Chloroquinoline-3-carboxylic acid - CAS 118791-14-3
Catalog: |
BB004268 |
Product Name: |
6-Chloroquinoline-3-carboxylic acid |
CAS: |
118791-14-3 |
Synonyms: |
6-chloroquinoline-3-carboxylic acid |
IUPAC Name: | 6-chloroquinoline-3-carboxylic acid |
Description: | 6-Chloroquinoline-3-carboxylic acid (CAS# 118791-14-3 ) is a useful research chemical. |
Molecular Weight: | 207.61 |
Molecular Formula: | C10H6ClNO2 |
Canonical SMILES: | C1=CC2=NC=C(C=C2C=C1Cl)C(=O)O |
InChI: | InChI=1S/C10H6ClNO2/c11-8-1-2-9-6(4-8)3-7(5-12-9)10(13)14/h1-5H,(H,13,14) |
InChI Key: | UYQIRJWFRMCAID-UHFFFAOYSA-N |
Boiling Point: | 382.122 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
Storage: | Sealed in dry, Room Temperature |
LogP: | 2.58640 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018311976-A1 | Inhibitors of Plasma Kallikrein and uses thereof | 20170804 |
CA-3070717-A1 | Inhibitors of plasma kallikrein and uses thereof | 20170804 |
EP-3661922-A1 | Inhibitors of plasma kallikrein and uses thereof | 20170804 |
WO-2019028362-A1 | INHIBITORS OF PLASMATIC KALLIKREIN AND USES THEREOF | 20170804 |
JP-2020529998-A | Inhibitors of plasma kallikrein and their use | 20170804 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.0087061 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.0087061 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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