| CAS Number | 1094310-78-7 |
| Catalog Number | AG019YB5 |
| Chemical Name | 5-Chloro-2-(cyclopentyloxy)benzoic acid |
| IUPAC Name | 5-chloro-2-cyclopentyloxybenzoic acid |
| InChI | InChI=1S/C12H13ClO3/c13-8-5-6-11(10(7-8)12(14)15)16-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15) |
| InChI Key | KVRMMVXGHWBEBK-UHFFFAOYSA-N |
| MDL Number | MFCD11180628 |
| Molecular Formula | C12H13ClO3 |
| Molecular Weight | 240.6828 |
| SMILES | OC(C1=C(OC2CCCC2)C=CC(Cl)=C1)=O |
| Synonyms | 5-chloro-2-(cyclopentyloxy)benzoic acid,
1094310-78-7,
ZINC33425831,
AKOS009311237,
MCULE-5475591189,
NE31307,
Z1346385678,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.683g/mol |
| Monoisotopic Mass | 240.055g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number