| CAS Number | 1198475-45-4 |
| Catalog Number | AG00IT4F(AGN-PC-0WB0U8) |
| Chemical Name | 5-Bromo-3-iodo-2-methoxybenzoic acid |
| IUPAC Name | 5-bromo-3-iodo-2-methoxybenzoic acid |
| InChI | InChI=1S/C8H6BrIO3/c1-13-7-5(8(11)12)2-4(9)3-6(7)10/h2-3H,1H3,(H,11,12) |
| InChI Key | KEQKAEQOVTURLS-UHFFFAOYSA-N |
| MDL Number | MFCD14581641 |
| Molecular Formula | C8H6BrIO3 |
| Molecular Weight | 356.9399 |
| SMILES | IC1(=C(OC)C(C(=O)O)=CC(=C1)[Br]) |
| Synonyms | 5-bromo-3-iodo-2-methoxybenzenecarboxylic acid,
1198475-45-4,
5-bromo-3-iodo-2-methoxybenzoic acid,
CTK6J4343,
bromoiodomethoxybenzenecarboxylicacid,
KS-000027OJ,
MFCD14581641,
ZINC40564732,
AKOS005073488,
MD-0055,
RP16955,
AJ-103522,
TR-070730,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 355.855g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 356.941g/mol |
| Monoisotopic Mass | 355.855g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number