| CAS Number | 1307255-37-3 |
| Catalog Number | AG01C227 |
| Chemical Name | 1-(2-CHLORO-3-METHOXYPHENYL)ETHAN-1-ONE |
| IUPAC Name | 1-(2-chloro-3-methoxyphenyl)ethanone |
| InChI | InChI=1S/C9H9ClO2/c1-6(11)7-4-3-5-8(12-2)9(7)10/h3-5H,1-2H3 |
| InChI Key | YNLYVRSMVSAKNW-UHFFFAOYSA-N |
| MDL Number | MFCD22573049 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | CC(C1=CC=CC(OC)=C1Cl)=O |
| Synonyms | 1-(2-chloro-3-methoxyphenyl)ethan-1-one,
1307255-37-3,
SCHEMBL7786056,
ZINC84449251,
AKOS023431125,
1-(2-chloro-3-methoxyphenyl)-ethanone,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.619g/mol |
| Monoisotopic Mass | 184.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number