| CAS Number | 473264-13-0 |
| Catalog Number | AG00DLWN |
| Chemical Name | 5-Chloro-4-iodo-2-methoxybenzoic acid |
| IUPAC Name | 5-chloro-4-iodo-2-methoxybenzoic acid |
| InChI | InChI=1S/C8H6ClIO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12) |
| InChI Key | LLLOGZBHLFGNSY-UHFFFAOYSA-N |
| MDL Number | MFCD09738653 |
| Molecular Formula | C8H6ClIO3 |
| Molecular Weight | 312.4889 |
| SMILES | ClC=1C(=CC(=C(C(=O)O)C1)OC)I |
| Synonyms | 5-chloro-4-iodo-2-methoxybenzoic acid,
473264-13-0,
5-chloro-4-iodo-2-methoxy-benzoic acid,
AC1Q44UX,
SCHEMBL2366676,
CTK6J8360,
LLLOGZBHLFGNSY-UHFFFAOYSA-N,
ZINC20283201,
AKOS000148067,
MCULE-1651805395,
NE14365,
4-Iodo-5-chloro-2-methoxy benzoic acid,
EN300-36049,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.905g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.487g/mol |
| Monoisotopic Mass | 311.905g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number