| CAS Number | 1690037-61-6 |
| Catalog Number | AG018RZ7(AGN-PC-0WOBRX) |
| Chemical Name | (1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | (1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)/t2-,3-/m0/s1 |
| InChI Key | GSNLYQDUCHEFFQ-HRFVKAFMSA-N |
| MDL Number | MFCD16990757 |
| Molecular Formula | C5H5F3O2 |
| Molecular Weight | 154.0872 |
| SMILES | OC([C@@H]1[C@@H](C(F)(F)F)C1)=O |
| Synonyms | trans-2-(trifluoromethyl)cyclopropane-1-carboxylic acid,
(+/-)-trans-2-(trifluoromethyl)cyclopropanecarboxylic acid,
(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid,
78376-99-5,
1690037-61-6,
ZINC40546689,
AKOS026729867,
NE56181,
EN300-89609,
(1S,2S)-2-(trifluoromethyl)cyclopropanecarboxylic acid,
F8881-8908,
2beta-(Trifluoromethyl)cyclopropane-1alpha-carboxylic acid,
AC1Q71D7,
AJ-103431,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.024164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.09g/mol |
| Monoisotopic Mass | 154.024164g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number