| CAS Number | 845866-46-8 |
| Catalog Number | AG00G475(AGN-PC-0WON5X) |
| Chemical Name | 4'-(3-Bromophenoxy)acetophenone |
| IUPAC Name | 1-[4-(3-bromophenoxy)phenyl]ethanone |
| InChI | InChI=1S/C14H11BrO2/c1-10(16)11-5-7-13(8-6-11)17-14-4-2-3-12(15)9-14/h2-9H,1H3 |
| InChI Key | GGCSOLJLDJFINE-UHFFFAOYSA-N |
| MDL Number | MFCD06411651 |
| Molecular Formula | C14H11BrO2 |
| Molecular Weight | 291.1399 |
| SMILES | C1=CC=C(OC2C=CC(C(=O)C)=CC=2)C=C1Br |
| Synonyms | 4'-(3-Bromophenoxy)acetophenone,
845866-46-8,
1-[4-(3-bromophenoxy)phenyl]ethanone,
1-(4-(3-bromophenoxy)phenyl)ethanone,
1-[4-(3-Bromophenoxy)phenyl]-ethanone,
AC1MBV2C,
SCHEMBL11508157,
CTK5I8553,
DTXSID90373730,
ZINC4242008,
AKOS000219477,
1-[4-(3-bromophenoxy)phenyl]ethan-1-one,
RT-019865,
A1-05675,
ZINC04242008,
CID2757091,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.144g/mol |
| Monoisotopic Mass | 289.994g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number