| CAS Number | 1215754-00-9 |
| Catalog Number | AG009B5N(AGN-PC-0WCAWU) |
| Chemical Name | 1-(2,6-Difluorophenyl)cyclobutanecarboxylic acid |
| IUPAC Name | 1-(2,6-difluorophenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H10F2O2/c12-7-3-1-4-8(13)9(7)11(10(14)15)5-2-6-11/h1,3-4H,2,5-6H2,(H,14,15) |
| InChI Key | DYFCQGKQXNYJNN-UHFFFAOYSA-N |
| MDL Number | MFCD11037022 |
| Molecular Formula | C11H10F2O2 |
| Molecular Weight | 212.1927 |
| SMILES | FC1=C(C(=CC=C1)F)C1(CCC1)C(=O)O |
| Synonyms | 1-(2,6-Difluorophenyl)cyclobutanecarboxylic acid,
1215754-00-9,
1-(2,6-difluorophenyl)cyclobutane-1-carboxylic acid,
CTK7I5754,
1215AD,
SBB052667,
ZINC40447870,
AKOS022924929,
SY157848,
TS-03024,
MFCD11037022 (95%),
1-(2,6-Difluorophenyl)cyclobutanecarboxylic acid,
Z2350904061,
C11H10F2O2,
|
| Complexity | 253 |
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number