| CAS Number | 915921-31-2 |
| Catalog Number | AG006GL4(AGN-PC-0WAKWS) |
| Chemical Name | 1-(4-Fluorophenyl)-2,2-dimethylcyclopropanecarboxylic acid |
| IUPAC Name | 1-(4-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C12H13FO2/c1-11(2)7-12(11,10(14)15)8-3-5-9(13)6-4-8/h3-6H,7H2,1-2H3,(H,14,15) |
| InChI Key | RIOYANNPRFBSNF-UHFFFAOYSA-N |
| MDL Number | MFCD08691455 |
| Molecular Formula | C12H13FO2 |
| Molecular Weight | 208.2288 |
| SMILES | FC1=CC=C(C=C1)C1(C(C1)(C)C)C(=O)O |
| Synonyms | 915921-31-2,
1-(4-FLUOROPHENYL)-2,2-DIMETHYLCYCLOPROPANECARBOXYLIC ACID,
1-(4-Fluorophenyl)-2,2-dimethylcyclopropane-1-carboxylic acid,
RIOYANNPRFBSNF-UHFFFAOYSA-N,
SCHEMBL1710788,
CTK5G9968,
DTXSID00672382,
1-(4-Fluorophenyl)-2,2-dimethyl-cyclopropanecarboxylic Acid,
MFCD08691455,
AKOS006337402,
Y-4148,
Z2755724169,
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| Complexity | 279 |
| 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 | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number