| CAS Number | 1263284-68-9 |
| Catalog Number | AG009W9V |
| Chemical Name | rac-(1R,2R)-2-(3-chloropyridin-4-yl)cyclopropane-1-carboxylic acid |
| IUPAC Name | (1R,2R)-2-(3-chloropyridin-4-yl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C9H8ClNO2/c10-8-4-11-2-1-5(8)6-3-7(6)9(12)13/h1-2,4,6-7H,3H2,(H,12,13)/t6-,7+/m0/s1 |
| InChI Key | BIPDSLYSTXXOEW-NKWVEPMBSA-N |
| MDL Number | MFCD12755735 |
| Molecular Formula | C9H8ClNO2 |
| Molecular Weight | 197.6183 |
| SMILES | OC([C@H]1[C@H](C2=C(Cl)C=NC=C2)C1)=O |
| Synonyms | 1263284-68-9,
(1R,2R)-2-(3-chloropyridin-4-yl)cyclopropanecarboxylic acid,
ZINC49587159,
AKOS006343570,
DB-011672,
S02-0221,
BIPDSLYSTXXOEW-NKWVEPMBSA-N,
(1R,2R)-rel-2-(3-Chloro-4-pyridinyl)cyclopropanecarboxylic acid,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.618g/mol |
| Monoisotopic Mass | 197.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number