| CAS Number | 1260837-43-1 |
| Catalog Number | AG018S6I(AGN-PC-0WOFT1) |
| Chemical Name | 2-(3,3-Difluorocyclopentyl)acetic acid |
| IUPAC Name | 2-(3,3-difluorocyclopentyl)acetic acid |
| InChI | InChI=1S/C7H10F2O2/c8-7(9)2-1-5(4-7)3-6(10)11/h5H,1-4H2,(H,10,11) |
| InChI Key | UTXOKNILSOCLJK-UHFFFAOYSA-N |
| MDL Number | MFCD15526662 |
| Molecular Formula | C7H10F2O2 |
| Molecular Weight | 164.1499 |
| SMILES | OC(CC1CC(F)(F)CC1)=O |
| Synonyms | 2-(3,3-DIFLUOROCYCLOPENTYL)ACETIC ACID,
1260837-43-1,
SCHEMBL3185201,
2-(3,3-difluorocyclopentyl)aceticacid,
AKOS023778531,
SB13850,
F8888-0103,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.152g/mol |
| Monoisotopic Mass | 164.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number