| CAS Number | 158265-19-1 |
| Catalog Number | AG01C751 |
| Chemical Name | Methyl 2-(2-chloroquinolin-4-yl)acetate |
| IUPAC Name | methyl 2-(2-chloroquinolin-4-yl)acetate |
| InChI | InChI=1S/C12H10ClNO2/c1-16-12(15)7-8-6-11(13)14-10-5-3-2-4-9(8)10/h2-6H,7H2,1H3 |
| InChI Key | DEKMOGNNUXUIIW-UHFFFAOYSA-N |
| MDL Number | MFCD27945504 |
| Molecular Formula | C12H10ClNO2 |
| Molecular Weight | 235.6663 |
| SMILES | COC(CC1=C2C(C=CC=C2)=NC(Cl)=C1)=O |
| Synonyms | methyl 2-(2-chloroquinolin-4-yl)acetate,
158265-19-1,
4-Quinolineacetic acid, 2-chloro-, methyl ester,
SCHEMBL2998031,
DEKMOGNNUXUIIW-UHFFFAOYSA-N,
2-(2-chloro-quinolin-4-yl)-acetic acid methyl ester,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.667g/mol |
| Monoisotopic Mass | 235.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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