| CAS Number | 845866-47-9 |
| Catalog Number | AG01EXQR(AGN-PC-3H48CP) |
| Chemical Name | 2'-(4-Bromobenzyloxy)acetophenone |
| IUPAC Name | 1-[2-[(4-bromophenyl)methoxy]phenyl]ethanone |
| InChI | InChI=1S/C15H13BrO2/c1-11(17)14-4-2-3-5-15(14)18-10-12-6-8-13(16)9-7-12/h2-9H,10H2,1H3 |
| InChI Key | RUXZKHRTPJWTTB-UHFFFAOYSA-N |
| MDL Number | MFCD06411652 |
| Molecular Formula | C15H13BrO2 |
| Molecular Weight | 305.1665 |
| SMILES | C1(Br)=CC=C(COC2C(C(=O)C)=CC=CC=2)C=C1 |
| Synonyms | 2'-(4-Bromobenzyloxy)acetophenone,
845866-47-9,
1-(2-[(4-bromobenzyl)oxy]phenyl)ethanone,
AC1MBUHS,
SCHEMBL8088242,
CTK5I7439,
DTXSID00373584,
ZINC4241249,
AKOS000195029,
1-(2-(4-bromobenzyloxy)phenyl)ethanone,
RT-018385,
1-[2-[(4-bromophenyl)methoxy]phenyl]ethanone,
ZINC04241249,
CID2756843,
|
| Complexity | 272 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.171g/mol |
| Monoisotopic Mass | 304.01g/mol |
| Rotatable Bond Count | 4 |
| 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