| CAS Number | 103204-07-5 |
| Catalog Number | AG00H9ZX(AGN-PC-0WG3WZ) |
| Chemical Name | Ethyl 4-iodo-3-methylbenzoate |
| IUPAC Name | ethyl 4-iodo-3-methylbenzoate |
| InChI | InChI=1S/C10H11IO2/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6H,3H2,1-2H3 |
| InChI Key | POCCTDZBWSWSQQ-UHFFFAOYSA-N |
| MDL Number | MFCD12923263 |
| Molecular Formula | C10H11IO2 |
| Molecular Weight | 290.0976 |
| SMILES | c1(c(ccc(c1)C(=O)OCC)I)C |
| Synonyms | Ethyl 4-iodo-3-methylbenzoate,
103204-07-5,
4-IODO-3-METHYLBENZOIC ACID ETHYL ESTER,
SCHEMBL8284386,
DTXSID80741828,
MFCD12923263,
ZINC91303270,
AM805107,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.1g/mol |
| Monoisotopic Mass | 289.98g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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