| CAS Number | 1226181-74-3 |
| Catalog Number | AG01BV8R |
| Chemical Name | 2-(3-chlorophenyl)pentanoic acid |
| IUPAC Name | 2-(3-chlorophenyl)pentanoic acid |
| InChI | InChI=1S/C11H13ClO2/c1-2-4-10(11(13)14)8-5-3-6-9(12)7-8/h3,5-7,10H,2,4H2,1H3,(H,13,14) |
| InChI Key | RLXOUELFISPMSF-UHFFFAOYSA-N |
| MDL Number | MFCD16308480 |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.6727 |
| SMILES | CCCC(C1=CC(Cl)=CC=C1)C(O)=O |
| Synonyms | 2-(3-chlorophenyl)pentanoic acid,
1226181-74-3,
SCHEMBL5820507,
AKOS017555182,
Z2678251718,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.673g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number