| CAS Number | 289039-54-9 |
| Catalog Number | AG002X10(AGN-PC-05W3US) |
| Chemical Name | Ethyl 2-chloro-5-iodobenzoate |
| EC Number | 608-282-2 |
| IUPAC Name | ethyl 2-chloro-5-iodobenzoate |
| InChI | InChI=1S/C9H8ClIO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3 |
| InChI Key | YKRGIJMFCRDMOU-UHFFFAOYSA-N |
| MDL Number | MFCD00144266 |
| Molecular Formula | C9H8ClIO2 |
| Molecular Weight | 310.5161 |
| SMILES | ClC1=C(C(=O)OCC)C=C(C=C1)I |
| Synonyms | Ethyl 2-Chloro-5-iodobenzoate,
289039-54-9,
ethyl-2-chloro-5-iodobenzoate,
SCHEMBL15471911,
CTK4G2379,
DTXSID00654148,
ZINC2516884,
AKOS017547929,
AS02904,
FS-5938,
2-Chloro-5-iodobenzoic acid ethyl ester,
Benzoic acid, 2-chloro-5-iodo-, ethyl ester,
|
| 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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number