3-(2,6-Dichlorophenyl)-5-isopropylisoxazole-4-carboxylic Acid - CAS 774605-58-2
Catalog: |
BB035950 |
Product Name: |
3-(2,6-Dichlorophenyl)-5-isopropylisoxazole-4-carboxylic Acid |
CAS: |
774605-58-2 |
Synonyms: |
3-(2,6-dichlorophenyl)-5-propan-2-yl-4-isoxazolecarboxylic acid; 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylic acid |
Description: | 3-(2,6-Dichlorophenyl)-5-isopropylisoxazole-4-carboxylic Acid (CAS# 774605-58-2) is a useful research chemical. |
Molecular Weight: | 300.14 |
Molecular Formula: | C13H11Cl2NO3 |
Canonical SMILES: | CC(C)C1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)O |
InChI: | InChI=1S/C13H11Cl2NO3/c1-6(2)12-10(13(17)18)11(16-19-12)9-7(14)4-3-5-8(9)15/h3-6H,1-2H3,(H,17,18) |
InChI Key: | CJHBOPAQVKEDHQ-UHFFFAOYSA-N |
MDL: | MFCD18072452 |
LogP: | 4.47000 |
Publication Number | Title | Priority Date |
TW-201643158-A | Isoxazole derivative as mutated isocitrate dehydrogenase 1 inhibitor | 20150609 |
TW-I681959-B | Isoxazole derivatives as inhibitors of variant isocitrate dehydrogenase 1 | 20150609 |
AU-2015325279-A1 | Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor | 20141001 |
AU-2015325279-B2 | Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor | 20141001 |
EP-3202766-A1 | Isoxazole derivative as mutated isocitrate dehydrogenase 1 inhibitor | 20141001 |
Complexity: | 330 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.0115986 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.0115986 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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