| CAS Number | 74571-80-5 |
| Catalog Number | AG01AD69(AGN-PC-0NJMOZ) |
| Chemical Name | 5-Bromo-2,4-dimethylphenol |
| IUPAC Name | 5-bromo-2,4-dimethylphenol |
| InChI | InChI=1S/C8H9BrO/c1-5-3-6(2)8(10)4-7(5)9/h3-4,10H,1-2H3 |
| InChI Key | QKHNPALIFLTMJG-UHFFFAOYSA-N |
| MDL Number | MFCD24714524 |
| Molecular Formula | C8H9BrO |
| Molecular Weight | 201.0605 |
| SMILES | CC1=C(O)C=C(Br)C(C)=C1 |
| Synonyms | 5-Bromo-2,4-dimethylphenol,
74571-80-5,
5-Brom-2,4-dimethylphenol,
SCHEMBL482183,
Phenol, 5-bromo-2,4-dimethyl-,
QKHNPALIFLTMJG-UHFFFAOYSA-N,
ZINC95883714,
NE44310,
|
| Complexity | 116 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.063g/mol |
| Monoisotopic Mass | 199.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 20.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number