| CAS Number | 1260751-97-0 |
| Catalog Number | AG01BH5S(AGN-PC-0WOW6K) |
| Chemical Name | 1-(3-Chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-(3-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H10ClFO2/c12-8-4-1-3-7(9(8)13)11(10(14)15)5-2-6-11/h1,3-4H,2,5-6H2,(H,14,15) |
| InChI Key | MERBYNKLQNNCEY-UHFFFAOYSA-N |
| MDL Number | MFCD11037025 |
| Molecular Formula | C11H10ClFO2 |
| Molecular Weight | 228.6473 |
| SMILES | OC(C1(C2=C(F)C(Cl)=CC=C2)CCC1)=O |
| Synonyms | 1260751-97-0,
1-(3-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid,
1-(3-Chloro-2-fluorophenyl)cyclobutanecarboxylic Acid,
AKOS017554409,
ZINC116942464,
SY166674,
MFCD11037025 (95%),
Z1946684537,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.647g/mol |
| Monoisotopic Mass | 228.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number