| CAS Number | 175168-72-6 |
| Catalog Number | AG01B7U4(AGN-PC-0QAPEX) |
| Chemical Name | rac-(1R,2R)-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid, trans |
| IUPAC Name | (1S,2S)-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H9FO2/c11-7-3-1-2-6(4-7)8-5-9(8)10(12)13/h1-4,8-9H,5H2,(H,12,13)/t8-,9+/m1/s1 |
| InChI Key | WRSJNCVKPWFCPM-BDAKNGLRSA-N |
| MDL Number | MFCD28246335 |
| Molecular Formula | C10H9FO2 |
| Molecular Weight | 180.1757 |
| SMILES | OC(=O)[C@@H]1C[C@H]1c1cccc(c1)F |
| Synonyms | (1S,2S)-2-(3-fluorophenyl)cyclopropane-1-carboxylic Acid,
175168-72-6,
Trans-2-(3-fluoro-phenyl)-cyclopropanecarboxylic acid,
SCHEMBL14480293,
4676AJ,
MFCD28246335,
ZINC37380521,
AJ-93834,
(1S)-2beta-(3-Fluorophenyl)-1alpha-cyclopropanecarboxylic acid,
C10H9FO2,
CID10511567,
trans-2-(3-fluorophenyl)cyclopropane-1-carboxylic acid,
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| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.178g/mol |
| Monoisotopic Mass | 180.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number