| CAS Number | 1155261-81-6 |
| Catalog Number | AG00IT4D(AGN-PC-0WB0U2) |
| Chemical Name | Methyl 5-bromo-3-iodo-2-methoxybenzoate |
| IUPAC Name | methyl 5-bromo-3-iodo-2-methoxybenzoate |
| InChI | InChI=1S/C9H8BrIO3/c1-13-8-6(9(12)14-2)3-5(10)4-7(8)11/h3-4H,1-2H3 |
| InChI Key | QTHJSPLRNXOZPV-UHFFFAOYSA-N |
| MDL Number | MFCD14581636 |
| Molecular Formula | C9H8BrIO3 |
| Molecular Weight | 370.9665 |
| SMILES | COC(C1=C(OC)C(I)=CC(Br)=C1)=O |
| Synonyms | methyl 5-bromo-3-iodo-2-methoxybenzenecarboxylate,
1155261-81-6,
methyl 5-bromo-3-iodo-2-methoxybenzoate,
methyl 2-methoxy-3-iodo-5-bromobenzoate,
C9H8BrIO3,
SCHEMBL18512307,
CTK6I9021,
KS-000027OA,
9573AC,
MFCD14581636,
ZINC40564723,
AKOS005073446,
methylbromoiodomethoxybenzenecarboxylate,
MD-0023,
RP17060,
AJ-103519,
TR-070724,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 369.87g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 370.968g/mol |
| Monoisotopic Mass | 369.87g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number