| CAS Number | 869970-64-9 |
| Catalog Number | AG004HCY(AGN-PC-0BZAYQ) |
| Chemical Name | Cyclopropanecarboxylic acid, 1-(4-chloro-2-fluorophenyl)- |
| IUPAC Name | 1-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8ClFO2/c11-6-1-2-7(8(12)5-6)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14) |
| InChI Key | REFBTNOOKKSXRG-UHFFFAOYSA-N |
| MDL Number | MFCD11036975 |
| Molecular Formula | C10H8ClFO2 |
| Molecular Weight | 214.6207 |
| SMILES | O=C(C1(C2=CC=C(Cl)C=C2F)CC1)O |
| Synonyms | 869970-64-9,
Cyclopropanecarboxylic acid, 1-(4-chloro-2-fluorophenyl)-,
1-(4-chloro-2-fluorophenyl)cyclopropanecarboxylic acid,
SCHEMBL348608,
CTK3C6000,
1-(4-Chloro-2-fluorophenyl)cyclopropane-1-carboxylic acid,
DTXSID30727511,
REFBTNOOKKSXRG-UHFFFAOYSA-N,
AKOS023129095,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.62g/mol |
| Monoisotopic Mass | 214.02g/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