5-chloro-2-fluoronicotinic acid - CAS 884494-57-9
Catalog: |
BB038861 |
Product Name: |
5-chloro-2-fluoronicotinic acid |
CAS: |
884494-57-9 |
Synonyms: |
5-chloro-2-fluoro-3-pyridinecarboxylic acid; 5-chloro-2-fluoropyridine-3-carboxylic acid |
IUPAC Name: | 5-chloro-2-fluoropyridine-3-carboxylic acid |
Description: | 5-chloro-2-fluoronicotinic acid (CAS# 884494-57-9) is a useful research chemical. |
Molecular Weight: | 175.54 |
Molecular Formula: | C6H3ClFNO2 |
Canonical SMILES: | C1=C(C(=NC=C1Cl)F)C(=O)O |
InChI: | InChI=1S/C6H3ClFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11) |
InChI Key: | TYSZXBYTBZUZQB-UHFFFAOYSA-N |
Boiling Point: | 308.18 ℃ at 760 mmHg |
Density: | 1.577 g/cm3 |
Appearance: | White solid |
MDL: | MFCD04112518 |
LogP: | 1.57230 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.9836342 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.9836342 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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