| CAS Number | 108446-76-0 |
| Catalog Number | AG008TVE(AGN-PC-0K438V) |
| Chemical Name | 3-(3-([1,1'-Biphenyl]-4-yl)-1-phenyl-1H-pyrazol-4-yl)acrylic acid |
| IUPAC Name | 3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enoic acid |
| InChI | InChI=1S/C24H18N2O2/c27-23(28)16-15-21-17-26(22-9-5-2-6-10-22)25-24(21)20-13-11-19(12-14-20)18-7-3-1-4-8-18/h1-17H,(H,27,28) |
| InChI Key | MTNAVQZPGXQKGS-UHFFFAOYSA-N |
| MDL Number | MFCD01829290 |
| Molecular Formula | C24H18N2O2 |
| Molecular Weight | 366.4119 |
| SMILES | O=C(O)C=CC1=CN(C2=CC=CC=C2)N=C1C3=CC=C(C4=CC=CC=C4)C=C3 |
| Synonyms | 2-Propenoic acid,3-(3-[1,1'-biphenyl]-4-yl-1-phenyl-1H-pyrazol-4-yl)-,
108446-76-0,
AC1LQJRI,
ACMC-20e0to,
CTK4A6048,
DTXSID20361968,
3-[1-phenyl-3-(4-phenylphenyl)pyrazol-4-yl]prop-2-enoic Acid,
KS-000021QE,
AKOS030240331,
MCULE-2508895214,
Z56787278,
3-(3-([1,1'-Biphenyl]-4-yl)-1-phenyl-1H-pyrazol-4-yl)acrylic acid,
3-(3-{[1,1'-biphenyl]-4-yl}-1-phenyl-1H-pyrazol-4-yl)prop-2-enoic acid,
(E)-3-(3-[1,1'-biphenyl]-4-yl-1-phenyl-1H-pyrazol-4-yl)-2-propenoic acid,
CID1351682,
|
| Complexity | 529 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.137g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 366.42g/mol |
| Monoisotopic Mass | 366.137g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 5.1 |
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Certificate of Analysis
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