| CAS Number | 25800-31-1 |
| Catalog Number | AG01FPI2(AGN-PC-01VM3V) |
| Chemical Name | Propyl 2,4-dichlorobenzoate |
| IUPAC Name | propyl 2,4-dichlorobenzoate |
| InChI | InChI=1S/C10H10Cl2O2/c1-2-5-14-10(13)8-4-3-7(11)6-9(8)12/h3-4,6H,2,5H2,1H3 |
| InChI Key | ZOIIQQAHABCSLU-UHFFFAOYSA-N |
| MDL Number | MFCD12178066 |
| Molecular Formula | C10H10Cl2O2 |
| Molecular Weight | 233.0912 |
| SMILES | ClC1=C(C(=O)OCCC)C=CC(=C1)Cl |
| Synonyms | propyl 2,4-dichlorobenzoate,
SCHEMBL7520602,
AKOS008947979,
AS-59006,
25800-31-1,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.005785g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.09g/mol |
| Monoisotopic Mass | 232.005785g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number