| CAS Number | 875916-50-0 |
| Catalog Number | AG01A8MQ(AGN-PC-01ZZ6U) |
| Chemical Name | 1-(3,4-Dichlorophenyl)-2-Methylpropan-1-One |
| IUPAC Name | 1-(3,4-dichlorophenyl)-2-methylpropan-1-one |
| InChI | InChI=1S/C10H10Cl2O/c1-6(2)10(13)7-3-4-8(11)9(12)5-7/h3-6H,1-2H3 |
| InChI Key | UGECHQYGTSAESA-UHFFFAOYSA-N |
| MDL Number | MFCD09891220 |
| Molecular Formula | C10H10Cl2O |
| Molecular Weight | 217.0918 |
| SMILES | CC(C(C1=CC=C(C(Cl)=C1)Cl)=O)C |
| Synonyms | 1-(3,4-dichlorophenyl)-2-methylpropan-1-one,
875916-50-0,
AC1Q1NWK,
1-Propanone, 1-(3,4-dichlorophenyl)-2-methyl-,
SCHEMBL760302,
ZINC11631536,
AKOS008104965,
MCULE-5506209169,
NE35919,
EN300-62035,
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| Complexity | 191 |
| 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 | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number