| CAS Number | 30343-34-1 |
| Catalog Number | AG00IZ23(AGN-PC-0WAX6E) |
| Chemical Name | 3-(2,4-Dichlorophenoxy)butan-2-one |
| IUPAC Name | 3-(2,4-dichlorophenoxy)butan-2-one |
| InChI | InChI=1S/C10H10Cl2O2/c1-6(13)7(2)14-10-4-3-8(11)5-9(10)12/h3-5,7H,1-2H3 |
| InChI Key | CIJAAXYQLAJGGN-UHFFFAOYSA-N |
| MDL Number | MFCD00243673 |
| Molecular Formula | C10H10Cl2O2 |
| Molecular Weight | 233.0912 |
| SMILES | CC(C(C)=O)OC1=C(Cl)C=C(Cl)C=C1 |
| Synonyms | 3-(2,4-dichlorophenoxy)butan-2-one,
3-(2,4-dichlorophenoxy)-2-butanone,
30343-34-1,
AC1MXH5E,
SCHEMBL8129817,
CIJAAXYQLAJGGN-UHFFFAOYSA-N,
MFCD00243673,
AKOS005104913,
MCULE-4975114846,
NE37170,
KS-0000213C,
9C-043,
Z19743953,
CID3765546,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.088g/mol |
| Monoisotopic Mass | 232.006g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number