Methyl 1-(2,4-Difluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate - CAS 1202028-96-3
Catalog: |
BB076181 |
Product Name: |
Methyl 1-(2,4-Difluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate |
CAS: |
1202028-96-3 |
Synonyms: |
Methyl 1-(2,4-difluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate; methyl 2-(2,4-difluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate; Methyl1-(2,4-difluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate; Methyl 1-(2,4-difluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate, AldrichCPR |
IUPAC Name: | methyl 2-(2,4-difluorophenyl)-5-thiophen-2-ylpyrazole-3-carboxylate |
Description: | Methyl 1-(2,4-Difluorophenyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxylate is a useful research chemical. |
Molecular Weight: | 320.31 |
Molecular Formula: | C15H10N2O2F2S |
Canonical SMILES: | COC(=O)C1=CC(=NN1C2=C(C=C(C=C2)F)F)C3=CC=CS3 |
InChI: | InChI=1S/C15H10F2N2O2S/c1-21-15(20)13-8-11(14-3-2-6-22-14)18-19(13)12-5-4-9(16)7-10(12)17/h2-8H,1H3 |
InChI Key: | ZPULJNIOVULFOK-UHFFFAOYSA-N |
Melting Point: | 130.5 - 131.7°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow to Pale Beige Solid |
Storage: | -20°C, Inert atmosphere |
Complexity: | 415 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 320.04310506 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 320.04310506 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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