| CAS Number | 681240-10-8 |
| Catalog Number | AG00FF4J(AGN-PC-0TRCHK) |
| Chemical Name | 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid |
| IUPAC Name | 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid |
| InChI | InChI=1S/C7H10F2O3/c8-7(9,5(10)11)6(12)3-1-2-4-6/h12H,1-4H2,(H,10,11) |
| InChI Key | BJPRDLSLGRZMSC-UHFFFAOYSA-N |
| MDL Number | MFCD16749725 |
| Molecular Formula | C7H10F2O3 |
| Molecular Weight | 180.1493 |
| SMILES | OC(C(C1(CCCC1)O)(F)F)=O |
| Synonyms | 2,2-difluoro-2-(1-hydroxycyclopentyl)acetic acid,
681240-10-8,
SCHEMBL15114530,
BJPRDLSLGRZMSC-UHFFFAOYSA-N,
Cyclopentaneacetic acid, -alpha-,-alpha--difluoro-1-hydroxy- (9CI),
ZINC39111971,
AKOS011684546,
NE16086,
Cyclopentaneaceticacid,-alpha-,-alpha--difluoro-1-hydroxy-,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.151g/mol |
| Monoisotopic Mass | 180.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number