| CAS Number | 247179-34-6 |
| Catalog Number | AG01BBOO |
| Chemical Name | 1-(3-Chlorophenyl)-2-methoxyethanone |
| IUPAC Name | 1-(3-chlorophenyl)-2-methoxyethanone |
| InChI | InChI=1S/C9H9ClO2/c1-12-6-9(11)7-3-2-4-8(10)5-7/h2-5H,6H2,1H3 |
| InChI Key | LXTKLBZRUOMROT-UHFFFAOYSA-N |
| MDL Number | MFCD11555814 |
| Molecular Formula | C9H9ClO2 |
| Molecular Weight | 184.6196 |
| SMILES | COCC(C1=CC(Cl)=CC=C1)=O |
| Synonyms | 1-(3-chlorophenyl)-2-methoxyethanone,
247179-34-6,
1-(3-chlorophenyl)-2-methoxyethan-1-one,
SCHEMBL3869644,
3'-Chloro-alpha-methoxyacetophenone,
ZINC34753390,
AKOS009992310,
Z2146513431,
|
| Complexity | 159 |
| 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 | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number