| CAS Number | 1269440-82-5 |
| Catalog Number | AG01DUEQ(AGN-PC-0WNPW3) |
| Chemical Name | Benzaldehyde,3-bromo-5-chloro-2-fluoro- |
| IUPAC Name | 3-bromo-5-chloro-2-fluorobenzaldehyde |
| InChI | InChI=1S/C7H3BrClFO/c8-6-2-5(9)1-4(3-11)7(6)10/h1-3H |
| InChI Key | WYDFJQCDJMWXQR-UHFFFAOYSA-N |
| MDL Number | MFCD22627836 |
| Molecular Formula | C7H3BrClFO |
| Molecular Weight | 237.4535 |
| SMILES | C1=C(C=O)C(=C(C=C1Cl)Br)F |
| Synonyms | 3-bromo-5-chloro-2-fluorobenzaldehyde,
1269440-82-5,
Benzaldehyde,3-bromo-5-chloro-2-fluoro-,
SCHEMBL8221595,
WYDFJQCDJMWXQR-UHFFFAOYSA-N,
MFCD22627836,
AKOS026671798,
ZINC145116410,
|
| Complexity | 155 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.452g/mol |
| Monoisotopic Mass | 235.904g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number