| CAS Number | 156573-32-9 |
| Catalog Number | AG001OT7(AGN-PC-03RC56) |
| Chemical Name | Benzoic acid, 2-chloro-4-iodo-, methyl ester |
| IUPAC Name | methyl 2-chloro-4-iodobenzoate |
| InChI | InChI=1S/C8H6ClIO2/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4H,1H3 |
| InChI Key | GXZQAHOVNZHGFE-UHFFFAOYSA-N |
| MDL Number | MFCD11846101 |
| Molecular Formula | C8H6ClIO2 |
| Molecular Weight | 296.4895 |
| SMILES | COC(=O)c1ccc(cc1Cl)I |
| Synonyms | Methyl 2-Chloro-4-iodobenzoate,
156573-32-9,
Benzoic acid, 2-chloro-4-iodo-, methyl ester,
SCHEMBL540259,
CTK0E7456,
DTXSID70626998,
GXZQAHOVNZHGFE-UHFFFAOYSA-N,
4922AD,
MFCD11846101,
ZINC36532957,
AKOS025123934,
AS-10299,
2-Chloro-4-iodo-benzoic acid methyl ester,
2-Chloro-4-iodo-benzoic Acid, Methyl Ester,
FT-0724528,
C8H6ClIO2,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 295.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.488g/mol |
| Monoisotopic Mass | 295.91g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number