| CAS Number | 1256584-73-2 |
| Catalog Number | AG009C70(AGN-PC-0WQVCX) |
| Chemical Name | 2-(4-Ethyl-3-iodophenyl)-2-methylpropanoic acid |
| EC Number | 812-218-0 |
| IUPAC Name | 2-(4-ethyl-3-iodophenyl)-2-methylpropanoic acid |
| InChI | InChI=1S/C12H15IO2/c1-4-8-5-6-9(7-10(8)13)12(2,3)11(14)15/h5-7H,4H2,1-3H3,(H,14,15) |
| InChI Key | RUVGXZCQYVEAKQ-UHFFFAOYSA-N |
| MDL Number | MFCD22571222 |
| Molecular Formula | C12H15IO2 |
| Molecular Weight | 318.1508 |
| SMILES | CCc1ccc(cc1I)C(C)(C)C(=O)O |
| Synonyms | 2-(4-ethyl-3-iodophenyl)-2-methylpropanoic acid,
1256584-73-2,
SCHEMBL897783,
RUVGXZCQYVEAKQ-UHFFFAOYSA-N,
CS-M1475,
MFCD22571222,
ZINC95080137,
AKOS030573302,
ACN-052671,
CS-13282,
FT-0701229,
4-Ethyl-3-iodo-alpha,alpha-dimethylbenzeneacetic acid,
Benzeneacetic acid, 4-ethyl-3-iodo-alpha,alpha-dimethyl-,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 318.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.154g/mol |
| Monoisotopic Mass | 318.012g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number