| CAS Number | 6582-45-2 |
| Catalog Number | AG00FLUE(AGN-PC-00K7HW) |
| Chemical Name | 1-(3,4-Dichlorophenyl)butan-1-one |
| IUPAC Name | 1-(3,4-dichlorophenyl)butan-1-one |
| InChI | InChI=1S/C10H10Cl2O/c1-2-3-10(13)7-4-5-8(11)9(12)6-7/h4-6H,2-3H2,1H3 |
| InChI Key | GLWFMNWVTNHDEO-UHFFFAOYSA-N |
| MDL Number | MFCD09264305 |
| Molecular Formula | C10H10Cl2O |
| Molecular Weight | 217.0918 |
| SMILES | CCCC(C1=CC(Cl)=C(Cl)C=C1)=O |
| Synonyms | 1-(3,4-dichlorophenyl)butan-1-one,
6582-45-2,
1-Butanone, 1-(3,4-dichlorophenyl)-,
55366-27-3,
AC1Q2UEK,
SCHEMBL634176,
CTK6D3168,
ZINC31893475,
AKOS008124695,
MCULE-5546691128,
NE27716,
AJ-84446,
FT-0614246,
EN300-59988,
3,4-DICHLOROBUTYROPHENONE,
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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 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number