| CAS Number | 878217-65-3 |
| Catalog Number | AG019PL7 |
| Chemical Name | 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic Acid |
| IUPAC Name | 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C13H13F3O2/c14-13(15,16)10-5-3-4-9(8-10)12(11(17)18)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,17,18) |
| InChI Key | APRXSIMKSSZHHM-UHFFFAOYSA-N |
| MDL Number | MFCD08239600 |
| Molecular Formula | C13H13F3O2 |
| Molecular Weight | 258.2363 |
| SMILES | FC(C=1C=C(C=CC1)C1(CCCC1)C(=O)O)(F)F |
| Synonyms | 1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic Acid,
878217-65-3,
1-[3-(trifluoromethyl)phenyl]cyclopentanecarboxylic acid,
AC1PMHAV,
AC1Q71ZL,
SCHEMBL3116411,
CTK7I5778,
HMS1779B01,
ZINC8037143,
AKOS009089356,
MCULE-9953266435,
NE60077,
SY170779,
EN300-24176,
MFCD08239600 (95%),
Z172492162,
CID9167232,
1-(3-(trifluoromethyl)phenyl)cyclopentanecarboxylic acid,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.24g/mol |
| Monoisotopic Mass | 258.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number