| CAS Number | 832674-07-4 |
| Catalog Number | AG00IDAA(AGN-PC-0WB0RM) |
| Chemical Name | 5-Bromo-3-iodo-2-methoxybenzaldehyde |
| IUPAC Name | 5-bromo-3-iodo-2-methoxybenzaldehyde |
| InChI | InChI=1S/C8H6BrIO2/c1-12-8-5(4-11)2-6(9)3-7(8)10/h2-4H,1H3 |
| InChI Key | DWCUASQBQQZNIQ-UHFFFAOYSA-N |
| MDL Number | MFCD02257474 |
| Molecular Formula | C8H6BrIO2 |
| Molecular Weight | 340.9405 |
| SMILES | COC1=C(C=O)C=C(Br)C=C1I |
| Synonyms | 5-bromo-3-iodo-2-methoxybenzaldehyde,
832674-07-4,
bromoiodomethoxybenzaldehyde,
SCHEMBL18511982,
CTK7H8572,
KS-000027JP,
ZINC2765894,
ZX-RL003455,
MFCD02257474,
SBB020113,
STK348915,
AKOS000307833,
FCH1334016,
LF-0705,
MCULE-9284473475,
RP16785,
OR310186,
ST45168272,
EN300-228129,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.942g/mol |
| Monoisotopic Mass | 339.86g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number