| CAS Number | 66340-51-0 |
| Catalog Number | AG01ABQH |
| Chemical Name | 2-(3-chloro-4-methoxyphenyl)-2-oxoacetic acid |
| IUPAC Name | 2-(3-chloro-4-methoxyphenyl)-2-oxoacetic acid |
| InChI | InChI=1S/C9H7ClO4/c1-14-7-3-2-5(4-6(7)10)8(11)9(12)13/h2-4H,1H3,(H,12,13) |
| InChI Key | GOIYEFHSLYIQBZ-UHFFFAOYSA-N |
| MDL Number | MFCD11179628 |
| Molecular Formula | C9H7ClO4 |
| Molecular Weight | 214.6025 |
| SMILES | COC1=C(Cl)C=C(C(C(O)=O)=O)C=C1 |
| Synonyms | 2-(3-chloro-4-methoxyphenyl)-2-oxoacetic acid,
66340-51-0,
SCHEMBL9659618,
ZINC36893449,
AKOS009312635,
MCULE-2058894260,
NE25129,
Z1816233699,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.601g/mol |
| Monoisotopic Mass | 214.003g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number