| CAS Number | 857803-65-7 |
| Catalog Number | AG004RML(AGN-PC-0WA4GV) |
| Chemical Name | 1-Bromo-3-isopentanoylbenzene |
| IUPAC Name | 1-(3-bromophenyl)-3-methylbutan-1-one |
| InChI | InChI=1S/C11H13BrO/c1-8(2)6-11(13)9-4-3-5-10(12)7-9/h3-5,7-8H,6H2,1-2H3 |
| InChI Key | YVWRKWALPWQASN-UHFFFAOYSA-N |
| MDL Number | MFCD12153328 |
| Molecular Formula | C11H13BrO |
| Molecular Weight | 241.1243 |
| SMILES | CC(CC(C1=CC(Br)=CC=C1)=O)C |
| Synonyms | 1-(3-Bromophenyl)-3-methylbutan-1-one,
857803-65-7,
1-Bromo-3-isopentanoylbenzene,
ACMC-209q7f,
CTK8B2468,
DTXSID20707701,
ANW-38233,
ZINC36179806,
AKOS010016123,
AM90138,
AJ-92473,
TC-126978,
V8131,
Z1949075956,
C11H13BrO,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.128g/mol |
| Monoisotopic Mass | 240.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number