| CAS Number | 1889432-53-4 |
| Catalog Number | AG01DW2R |
| Chemical Name | 4-(2,2-Difluorocyclopropyl)Benzoic Acid |
| IUPAC Name | 4-(2,2-difluorocyclopropyl)benzoic acid |
| InChI | InChI=1S/C10H8F2O2/c11-10(12)5-8(10)6-1-3-7(4-2-6)9(13)14/h1-4,8H,5H2,(H,13,14) |
| InChI Key | XYFDFORPHCGFCM-UHFFFAOYSA-N |
| MDL Number | MFCD30494345 |
| Molecular Formula | C10H8F2O2 |
| Molecular Weight | 198.1661 |
| SMILES | OC(=O)C1=CC=C(C=C1)C2C(F)(F)C2 |
| Synonyms | 4-(2,2-difluorocyclopropyl)benzoic acid,
1889432-53-4,
SCHEMBL13267497,
F2167-7653,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number