| CAS Number | 161725-12-8 |
| Catalog Number | AG00AS30(AGN-PC-0NHOXY) |
| Chemical Name | 5-(4-chlorokphenyl)pentanoic acid |
| IUPAC Name | 5-(4-chlorophenyl)pentanoic acid |
| InChI | InChI=1S/C11H13ClO2/c12-10-7-5-9(6-8-10)3-1-2-4-11(13)14/h5-8H,1-4H2,(H,13,14) |
| InChI Key | UYYNOIVMWZJAJV-UHFFFAOYSA-N |
| MDL Number | MFCD09890954 |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.6727 |
| SMILES | C1=CC(=CC=C1CCCCC(=O)O)Cl |
| Synonyms | 5-(4-chlorophenyl)pentanoic acid,
161725-12-8,
Benzenepentanoic acid, 4-chloro-,
SCHEMBL2418582,
5-(4-chlorokphenyl)pentanoic acid,
ZINC11631148,
AKOS009242596,
MCULE-7732755765,
NE46113,
Z1342208388,
|
| Complexity | 174 |
| 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 | 5 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number