| CAS Number | 1099653-33-4 |
| Catalog Number | AG01A9GO |
| Chemical Name | 1-(3-bromophenyl)-4,4-dimethylpentan-3-one |
| IUPAC Name | 1-(3-bromophenyl)-4,4-dimethylpentan-3-one |
| InChI | InChI=1S/C13H17BrO/c1-13(2,3)12(15)8-7-10-5-4-6-11(14)9-10/h4-6,9H,7-8H2,1-3H3 |
| InChI Key | PWOJPHSQPDWIPE-UHFFFAOYSA-N |
| MDL Number | MFCD11655204 |
| Molecular Formula | C13H17BrO |
| Molecular Weight | 269.1775 |
| SMILES | CC(C(CCC1=CC(Br)=CC=C1)=O)(C)C |
| Synonyms | 1-(3-bromophenyl)-4,4-dimethylpentan-3-one,
1099653-33-4,
AC1Q1LKW,
ZINC36683715,
AKOS009390039,
MCULE-9105880540,
NE15262,
EN300-65065,
Z1245735207,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.182g/mol |
| Monoisotopic Mass | 268.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
Lot Number