| CAS Number | 92712-69-1 |
| Catalog Number | AG00GVG2(AGN-PC-00LVPB) |
| Chemical Name | Ethyl 2-chloro-4-iodobenzoate |
| IUPAC Name | ethyl 2-chloro-4-iodobenzoate |
| InChI | InChI=1S/C9H8ClIO2/c1-2-13-9(12)7-4-3-6(11)5-8(7)10/h3-5H,2H2,1H3 |
| InChI Key | OYNKNUFQOPRECH-UHFFFAOYSA-N |
| MDL Number | MFCD11846100 |
| Molecular Formula | C9H8ClIO2 |
| Molecular Weight | 310.5161 |
| SMILES | O=C(OCC)C1=CC=C(I)C=C1Cl |
| Synonyms | Ethyl 2-Chloro-4-iodobenzoate,
92712-69-1,
SCHEMBL10641423,
DTXSID30534863,
OYNKNUFQOPRECH-UHFFFAOYSA-N,
ZINC36532955,
AS02974,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 309.926g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.515g/mol |
| Monoisotopic Mass | 309.926g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number