| CAS Number | 1934517-43-7 |
| Catalog Number | AG01FD8O(AGN-PC-3H49OI) |
| Chemical Name | 3-Bromo-2-chloro-5-methylbenzaldehyde |
| IUPAC Name | 3-bromo-2-chloro-5-methylbenzaldehyde |
| InChI | InChI=1S/C8H6BrClO/c1-5-2-6(4-11)8(10)7(9)3-5/h2-4H,1H3 |
| InChI Key | VSJJHIQEXZWUQO-UHFFFAOYSA-N |
| MDL Number | MFCD28369624 |
| Molecular Formula | C8H6BrClO |
| Molecular Weight | 233.4896 |
| SMILES | c1(cc(cc(c1Cl)Br)C)C=O |
| Synonyms | 3-Bromo-2-chloro-5-methylbenzaldehyde,
1934517-43-7,
ZINC263620195,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.489g/mol |
| Monoisotopic Mass | 231.929g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number