| CAS Number | 42160-40-7 |
| Catalog Number | AG019EW4 |
| Chemical Name | 4-(3,4-Dichlorophenyl)butan-2-one |
| IUPAC Name | 4-(3,4-dichlorophenyl)butan-2-one |
| InChI | InChI=1S/C10H10Cl2O/c1-7(13)2-3-8-4-5-9(11)10(12)6-8/h4-6H,2-3H2,1H3 |
| InChI Key | RXNXKXOMYIFHQK-UHFFFAOYSA-N |
| MDL Number | MFCD09891026 |
| Molecular Formula | C10H10Cl2O |
| Molecular Weight | 217.0918 |
| SMILES | CC(CCC1=CC(Cl)=C(Cl)C=C1)=O |
| Synonyms | 4-(3,4-dichlorophenyl)butan-2-one,
42160-40-7,
2-Butanone, 4-(3,4-dichlorophenyl)-,
AC1Q1K58,
SCHEMBL4718026,
CTK1C8634,
KS-00001BLF,
DTXSID50640551,
RXNXKXOMYIFHQK-UHFFFAOYSA-N,
MFCD09891026,
ZINC11631243,
AKOS009390602,
MCULE-8129638605,
NE61498,
CS-0035638,
FT-0766141,
EN300-65775,
Z1695784320,
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| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.089g/mol |
| Monoisotopic Mass | 216.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number