| CAS Number | 248607-57-0 |
| Catalog Number | AG002POK(AGN-PC-0WD6UL) |
| Chemical Name | Benzaldehyde, 3,5-dibromo-4-methyl- |
| IUPAC Name | 3,5-dibromo-4-methylbenzaldehyde |
| InChI | InChI=1S/C8H6Br2O/c1-5-7(9)2-6(4-11)3-8(5)10/h2-4H,1H3 |
| InChI Key | MKWZPEZCTKRQON-UHFFFAOYSA-N |
| MDL Number | MFCD00277892 |
| Molecular Formula | C8H6Br2O |
| Molecular Weight | 277.9406 |
| SMILES | c1(c(c(cc(c1)C=O)Br)C)Br |
| Synonyms | 3,5-dibromo-4-methylbenzaldehyde,
248607-57-0,
Benzaldehyde, 3,5-dibromo-4-methyl-,
SCHEMBL7811222,
SBB018980,
STK661644,
ZINC14988320,
AKOS000295674,
MCULE-5313870160,
SC-38998,
ST4145813,
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| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 277.876g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.943g/mol |
| Monoisotopic Mass | 275.879g/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
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Certificate of Analysis
Lot Number