| CAS Number | 87234-10-4 |
| Catalog Number | AG01A1HN(AGN-PC-02RDN1) |
| Chemical Name | Propan-2-yl 4-(chloromethyl)benzoate |
| IUPAC Name | propan-2-yl 4-(chloromethyl)benzoate |
| InChI | InChI=1S/C11H13ClO2/c1-8(2)14-11(13)10-5-3-9(7-12)4-6-10/h3-6,8H,7H2,1-2H3 |
| InChI Key | NWGIOTOSMYVEKY-UHFFFAOYSA-N |
| MDL Number | MFCD20527442 |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.6727 |
| SMILES | CC(OC(C1=CC=C(CCl)C=C1)=O)C |
| Synonyms | propan-2-yl 4-(chloromethyl)benzoate,
87234-10-4,
Isopropyl 4-(chloromethyl)benzoate,
SCHEMBL9673540,
NWGIOTOSMYVEKY-UHFFFAOYSA-N,
ZINC82164117,
AKOS014313567,
NE21567,
|
| Complexity | 184 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.673g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number