| CAS Number | 210110-50-2 |
| Catalog Number | AG002KL2 |
| Chemical Name | (2E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoic acid |
| IUPAC Name | (E)-3-(3,4-difluorophenyl)-2-methylprop-2-enoic acid |
| InChI | InChI=1S/C10H8F2O2/c1-6(10(13)14)4-7-2-3-8(11)9(12)5-7/h2-5H,1H3,(H,13,14)/b6-4+ |
| InChI Key | JXZKWSYEPABLCI-GQCTYLIASA-N |
| MDL Number | MFCD06207091 |
| Molecular Formula | C10H8F2O2 |
| Molecular Weight | 198.1661 |
| SMILES | C/C(/C(O)=O)=CC1=CC(F)=C(F)C=C1 |
| Synonyms | SCHEMBL6936531,
FCH851079,
AKOS006292225,
FCH4998701,
BBV-42311392,
3-(3,4-difluorophenyl)-2-methylprop-2-enoic acid,
2-Propenoic acid, 3-(3,4-difluorophenyl)-2-methyl-, (2E)-,
210110-50-2,
32004-55-0,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 198.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.169g/mol |
| Monoisotopic Mass | 198.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number