| CAS Number | 1582770-02-2 |
| Catalog Number | AG00IWHV(AGN-PC-0WAYXF) |
| Chemical Name | 3,5-Dichloro-4-formylphenyl acetate |
| IUPAC Name | (3,5-dichloro-4-formylphenyl) acetate |
| InChI | InChI=1S/C9H6Cl2O3/c1-5(13)14-6-2-8(10)7(4-12)9(11)3-6/h2-4H,1H3 |
| InChI Key | OWYIYIOLZRIQJL-UHFFFAOYSA-N |
| MDL Number | MFCD27980615 |
| Molecular Formula | C9H6Cl2O3 |
| Molecular Weight | 233.0481 |
| SMILES | ClC1(=C(C(Cl)=CC(=C1)OC(=O)C)C=O) |
| Synonyms | 3,5-dichloro-4-formylphenyl acetate,
1582770-02-2,
KS-000023UE,
ZINC96179469,
AKOS025393315,
CK-0713,
FCH2515290,
OR310629,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.044g/mol |
| Monoisotopic Mass | 231.969g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number