| CAS Number | 90326-54-8 |
| Catalog Number | AG0039PA(AGN-PC-0WAKYS) |
| Chemical Name | 1-(5-bromo-2-methylphenyl)ethanone |
| IUPAC Name | 1-(5-bromo-2-methylphenyl)ethanone |
| InChI | InChI=1S/C9H9BrO/c1-6-3-4-8(10)5-9(6)7(2)11/h3-5H,1-2H3 |
| InChI Key | ZNMVYUFRYQVCRD-UHFFFAOYSA-N |
| MDL Number | MFCD22493313 |
| Molecular Formula | C9H9BrO |
| Molecular Weight | 213.0712 |
| SMILES | BrC=1C=CC(=C(C1)C(C)=O)C |
| Synonyms | 1-(5-bromo-2-methylphenyl)ethanone,
90326-54-8,
1-(5-bromo-2-methylphenyl)ethan-1-one,
SCHEMBL9353897,
5'-bromo-2'-methylacetophenone,
5-bromo-2-methylphenyl-ethanone,
ZNMVYUFRYQVCRD-UHFFFAOYSA-N,
KS-00000S5J,
MFCD22493313,
ZINC78224408,
AKOS018710685,
DS-8780,
AK147547,
AJ-122716,
CS-0042136,
FT-0753109,
|
| Complexity | 156 |
| 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 | 2.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number