| CAS Number | 74124-86-0 |
| Catalog Number | AG00FD2K(AGN-PC-02249W) |
| Chemical Name | Methyl 3-(2-chlorophenyl)propanoate |
| IUPAC Name | methyl 3-(2-chlorophenyl)propanoate |
| InChI | InChI=1S/C10H11ClO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3 |
| InChI Key | SKAIVXBBFBJQOL-UHFFFAOYSA-N |
| MDL Number | MFCD16620959 |
| Molecular Formula | C10H11ClO2 |
| Molecular Weight | 198.6461 |
| SMILES | ClC1=C(C=CC=C1)CCC(=O)OC |
| Synonyms | Methyl 3-(2-chlorophenyl)propanoate,
74124-86-0,
SCHEMBL5348780,
SKAIVXBBFBJQOL-UHFFFAOYSA-N,
Methyl 3-(2-chlorophenyl)propionate,
ZINC57490500,
AKOS017260161,
|
| Complexity | 170 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.646g/mol |
| Monoisotopic Mass | 198.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number