| CAS Number | 2055841-07-9 |
| Catalog Number | AG002A86(AGN-PC-0WNGSD) |
| Chemical Name | Cyclopropanecarboxylic acid, 2-(4-chloro-3-fluorophenyl)-, (1R,2R)-rel- |
| IUPAC Name | (1R,2R)-2-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8ClFO2/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1 |
| InChI Key | WLBMRAWVMMPUAI-NKWVEPMBSA-N |
| MDL Number | MFCD30502876 |
| Molecular Formula | C10H8ClFO2 |
| Molecular Weight | 214.6207 |
| SMILES | C(=O)(O)[C@H]1[C@@H](C1)c1cc(F)c(cc1)Cl |
| Synonyms | (1R,2R)-rel-2-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxylic acid,
2055841-07-9,
MFCD30502876,
ZINC43388973,
AKOS030627748,
AS-53376,
CS-0053633,
trans-2-(4-Chloro-3-fluorophenyl)cyclopropane-1-carboxylic acid,
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| Complexity | 246 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| 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 | 2.4 |
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Certificate of Analysis
Lot Number