| CAS Number | 2044705-94-2 |
| Catalog Number | AG01BVFL |
| Chemical Name | rac-(1r,2r)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | (1R,2S)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8Cl2O2/c11-8-3-1-2-5(9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7-/m1/s1 |
| InChI Key | GDGXBNVMCFKSFP-RNFRBKRXSA-N |
| MDL Number | MFCD30478088 |
| Molecular Formula | C10H8Cl2O2 |
| Molecular Weight | 231.0753 |
| SMILES | OC(=O)[C@@H]1C[C@H]1c1cccc(c1Cl)Cl |
| Synonyms | ZINC37381158,
rac-(1R,2R)-2-(2,3-dichlorophenyl)cyclopropane-1-carboxylic acid, trans,
2044705-94-2,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.072g/mol |
| Monoisotopic Mass | 229.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number