| CAS Number | 1016723-17-3 |
| Catalog Number | AG019WBY(AGN-PC-04PD4X) |
| Chemical Name | 1-(4-[(2-Chloroprop-2-en-1-yl)oxy]phenyl)ethan-1-one |
| IUPAC Name | 1-[4-(2-chloroprop-2-enoxy)phenyl]ethanone |
| InChI | InChI=1S/C11H11ClO2/c1-8(12)7-14-11-5-3-10(4-6-11)9(2)13/h3-6H,1,7H2,2H3 |
| InChI Key | NMELEHAOVKUUIN-UHFFFAOYSA-N |
| MDL Number | MFCD09928478 |
| Molecular Formula | C11H11ClO2 |
| Molecular Weight | 210.6568 |
| SMILES | CC(C1=CC=C(OCC(Cl)=C)C=C1)=O |
| Synonyms | 1-{4-[(2-chloroprop-2-en-1-yl)oxy]phenyl}ethan-1-one,
1016723-17-3,
EN300-51389,
AC1Q1JU1,
CTK6G5288,
ZINC19424595,
AKOS000168520,
BBV-060777,
MCULE-1586761225,
NE14617,
J-000470,
1-(4-[(2-chloroprop-2-en-1-yl)oxy]phenyl)ethan-1-one,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.657g/mol |
| Monoisotopic Mass | 210.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number