| CAS Number | 145235-84-3 |
| Catalog Number | AG001KOP(AGN-PC-0JCVH1) |
| Chemical Name | 4-Iodo-3,5-dimethylphenyl acetate |
| IUPAC Name | (4-iodo-3,5-dimethylphenyl) acetate |
| InChI | InChI=1S/C10H11IO2/c1-6-4-9(13-8(3)12)5-7(2)10(6)11/h4-5H,1-3H3 |
| InChI Key | VUJNBUMSARWZPN-UHFFFAOYSA-N |
| MDL Number | MFCD00800935 |
| Molecular Formula | C10H11IO2 |
| Molecular Weight | 290.0976 |
| SMILES | IC1(=C(C=C(OC(=O)C)C=C1C)C) |
| Synonyms | 4-iodo-3,5-dimethylphenyl acetate,
145235-84-3,
Phenol, 4-iodo-3,5-dimethyl-, 1-acetate,
SCHEMBL9305290,
ZINC2570168,
AKOS022168318,
FCH1332006,
MH-0707,
KS-000027R9,
OR310515,
Acetic acid 4-iodo-3,5-dimethylphenyl ester,
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| Complexity | 181 |
| 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 | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number