| CAS Number | 693285-59-5 |
| Catalog Number | AG00FG7I(AGN-PC-03MYER) |
| Chemical Name | 3-Bromo-2,4-dimethylbenzaldehyde |
| IUPAC Name | 3-bromo-2,4-dimethylbenzaldehyde |
| InChI | InChI=1S/C9H9BrO/c1-6-3-4-8(5-11)7(2)9(6)10/h3-5H,1-2H3 |
| InChI Key | YJCKVJMBZBBHOR-UHFFFAOYSA-N |
| MDL Number | MFCD22571466 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | BrC=1C(=C(C=O)C=CC1C)C |
| Synonyms | 3-bromo-2,4-dimethylbenzaldehyde,
693285-59-5,
Benzaldehyde, 3-bromo-2,4-dimethyl-,
SCHEMBL1708271,
YJCKVJMBZBBHOR-UHFFFAOYSA-N,
3-Bromo-2,4-dimethyl-benzaldehyde,
ZINC116899999,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.074g/mol |
| Monoisotopic Mass | 211.984g/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