| CAS Number | 1373029-09-4 |
| Catalog Number | AG00HUV5(AGN-PC-0WR3GY) |
| Chemical Name | ethyl 2-chloro-4-formylbenzoate |
| IUPAC Name | ethyl 2-chloro-4-formylbenzoate |
| InChI | InChI=1S/C10H9ClO3/c1-2-14-10(13)8-4-3-7(6-12)5-9(8)11/h3-6H,2H2,1H3 |
| InChI Key | QXLKYNGVQIZQKY-UHFFFAOYSA-N |
| MDL Number | MFCD23378476 |
| Molecular Formula | C10H9ClO3 |
| Molecular Weight | 212.6297 |
| SMILES | CCOC(C1=C(Cl)C=C(C=O)C=C1)=O |
| Synonyms | 2-Chloro-4-formyl-benzoic acid ethyl ester,
1373029-09-4,
Ethyl 2-chloro-4-formylbenzoate,
MFCD23378476,
ZINC91305054,
AKOS027255483,
AM805910,
AS-54824,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.629g/mol |
| Monoisotopic Mass | 212.024g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number