| CAS Number | 24552-29-2 |
| Catalog Number | AG00I4PT |
| Chemical Name | 3-(2-Chlorophenyl)butanoic acid |
| IUPAC Name | 3-(2-chlorophenyl)butanoic acid |
| InChI | InChI=1S/C10H11ClO2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13) |
| InChI Key | CKWWFOQNAJIDND-UHFFFAOYSA-N |
| MDL Number | MFCD16304634 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | CC(C1=CC=CC=C1Cl)CC(O)=O |
| Synonyms | 3-(2-chlorophenyl)butanoic acid,
24552-29-2,
SCHEMBL17749160,
AKOS005265784,
SC-91278,
3-(2-CHLORO-PHENYL)-BUTYRIC ACID,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number