Methyl 1-(2,4-Difluorophenyl)-3-phenyl-1H-pyrazole-5-carboxylate - CAS 1202030-37-2
Catalog: |
BB059256 |
Product Name: |
Methyl 1-(2,4-Difluorophenyl)-3-phenyl-1H-pyrazole-5-carboxylate |
CAS: |
1202030-37-2 |
Synonyms: |
Methyl 1-(2,4-difluorophenyl)-3-phenyl-1H-pyrazole-5-carboxylate; METHYL 2-(2,4-DIFLUOROPHENYL)-5-PHENYLPYRAZOLE-3-CARBOXYLATE; Methyl 1-(2,4-difluorophenyl)-3-phenyl-1H-pyrazole-5-carboxylate, AldrichCPR |
IUPAC Name: | methyl 2-(2,4-difluorophenyl)-5-phenylpyrazole-3-carboxylate |
Description: | methyl 1-(2,4-difluorophenyl)-3-phenyl-1H-pyrazole-5-carboxylate (cas# 1202030-37-2) is a useful research chemical. |
Molecular Weight: | 314.28 |
Molecular Formula: | C17H12N2O2F2 |
Canonical SMILES: | COC(=O)C1=CC(=NN1C2=C(C=C(C=C2)F)F)C3=CC=CC=C3 |
InChI: | InChI=1S/C17H12F2N2O2/c1-23-17(22)16-10-14(11-5-3-2-4-6-11)20-21(16)15-8-7-12(18)9-13(15)19/h2-10H,1H3 |
InChI Key: | FRSDEIADASEMBH-UHFFFAOYSA-N |
Complexity: | 417 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 314.08668395 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 314.08668395 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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