4-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic Acid - CAS 1060810-66-3
Catalog: |
BB001791 |
Product Name: |
4-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic Acid |
CAS: |
1060810-66-3 |
Synonyms: |
4-chloro-6-(trifluoromethyl)-3-pyridinecarboxylic acid; 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid |
IUPAC Name: | 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylic acid |
Description: | 4-Chloro-6-(trifluoromethyl)pyridine-3-carboxylic Acid (CAS# 1060810-66-3) is used as reactant in the preparation of substituted pyridine herbicides. |
Molecular Weight: | 225.55 |
Molecular Formula: | C7H3ClF3NO2 |
Canonical SMILES: | C1=C(C(=CN=C1C(F)(F)F)C(=O)O)Cl |
InChI: | InChI=1S/C7H3ClF3NO2/c8-4-1-5(7(9,10)11)12-2-3(4)6(13)14/h1-2H,(H,13,14) |
InChI Key: | CIGVUOHSGVRSIC-UHFFFAOYSA-N |
LogP: | 2.45200 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020243459-A1 | Thiadiazolyl derivatives as dna polymerase theta inhibitors | 20190531 |
WO-2020070049-A1 | Pesticidally active benzene- and azine-amide compounds | 20181002 |
TW-202027606-A | Pesticidally active benzene-and azine-amide compounds | 20181002 |
CN-112839933-A | Pesticidally active benzene-amide and azine-amide compounds | 20181002 |
EP-3860987-A1 | Pesticidally active benzene- and azine-amide compounds | 20181002 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.9804405 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.9804405 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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