| CAS Number | 188014-55-3 |
| Catalog Number | AG01DW2N(AGN-PC-0QH4P8) |
| Chemical Name | 2-(3-Chlorophenyl)butanoic acid |
| IUPAC Name | 2-(3-chlorophenyl)butanoic acid |
| InChI | InChI=1S/C10H11ClO2/c1-2-9(10(12)13)7-4-3-5-8(11)6-7/h3-6,9H,2H2,1H3,(H,12,13) |
| InChI Key | MLUSBOPUEWAMEK-UHFFFAOYSA-N |
| MDL Number | MFCD16304635 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | CCC(C1=CC(Cl)=CC=C1)C(O)=O |
| Synonyms | 2-(3-chlorophenyl)butanoic acid,
188014-55-3,
Benzenebutanoic acid,3-chloro-,
SCHEMBL2109907,
CTK4F0637,
DTXSID40703402,
AKOS011681466,
DA-08859,
FT-0730833,
22991-05-5,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number