| CAS Number | 1260672-69-2 |
| Catalog Number | AG01A4SL(AGN-PC-0WO8YE) |
| Chemical Name | 1-(2,4-difluorophenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(2,4-difluorophenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H10F2O2/c12-7-2-3-8(9(13)6-7)11(10(14)15)4-1-5-11/h2-3,6H,1,4-5H2,(H,14,15) |
| InChI Key | QKVNQFZPTFMULW-UHFFFAOYSA-N |
| MDL Number | MFCD11037028 |
| Molecular Formula | C11H10F2O2 |
| Molecular Weight | 212.1927 |
| SMILES | FC1=C(C=CC(=C1)F)C1(CCC1)C(=O)O |
| Synonyms | 1-(2,4-difluorophenyl)cyclobutane-1-carboxylic acid,
1260672-69-2,
1-(2,4-DIFLUOROPHENYL)CYCLOBUTANECARBOXYLIC ACID,
ZINC80961554,
AKOS013886130,
AB62729,
NE22370,
SY151102,
MFCD11037028 (95%),
|
| Complexity | 263 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.196g/mol |
| Monoisotopic Mass | 212.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number