| CAS Number | 1695567-81-7 |
| Catalog Number | AG01C0ME |
| Chemical Name | 4-Bromo-3-fluoro-2-methoxy-benzaldehyde |
| IUPAC Name | 4-bromo-3-fluoro-2-methoxybenzaldehyde |
| InChI | InChI=1S/C8H6BrFO2/c1-12-8-5(4-11)2-3-6(9)7(8)10/h2-4H,1H3 |
| InChI Key | PYWGJFVEOGVKSP-UHFFFAOYSA-N |
| MDL Number | MFCD28098074 |
| Molecular Formula | C8H6BrFO2 |
| Molecular Weight | 233.0344 |
| SMILES | O=CC1=CC=C(Br)C(F)=C1OC |
| Synonyms | 4-Bromo-3-fluoro-2-methoxybenzaldehyde,
4-BROMO-3-FLUORO-2-METHOXY-BENZALDEHYDE,
1695567-81-7,
SCHEMBL16616063,
PYWGJFVEOGVKSP-UHFFFAOYSA-N,
MFCD28098074,
ZINC98210685,
FCH2571987,
PC500670,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.036g/mol |
| Monoisotopic Mass | 231.954g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number