| CAS Number | 1439903-06-6 |
| Catalog Number | AG01AD4Y(AGN-PC-0WO2W3) |
| Chemical Name | 1-[(3-Fluorophenyl)methyl]cyclobutane-1-carboxylic acid |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C12H13FO2/c13-10-4-1-3-9(7-10)8-12(11(14)15)5-2-6-12/h1,3-4,7H,2,5-6,8H2,(H,14,15) |
| InChI Key | DQVFFAUQMVIMGZ-UHFFFAOYSA-N |
| MDL Number | MFCD20958690 |
| Molecular Formula | C12H13FO2 |
| Molecular Weight | 208.2288 |
| SMILES | OC(C1(CCC1)CC1=CC(F)=CC=C1)=O |
| Synonyms | 1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid,
1439903-06-6,
1-(3-Fluorobenzyl)cyclobutanecarboxylic acid,
ZINC83570109,
AKOS014528318,
KS-7862,
NE34659,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.232g/mol |
| Monoisotopic Mass | 208.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number