| CAS Number | 59477-82-6 |
| Catalog Number | AG00F2DG(AGN-PC-0OCWML) |
| Chemical Name | 1-(4-tert-Butyl-phenyl)-2-chloro-propan-1-one |
| IUPAC Name | 1-(4-tert-butylphenyl)-2-chloropropan-1-one |
| InChI | InChI=1S/C13H17ClO/c1-9(14)12(15)10-5-7-11(8-6-10)13(2,3)4/h5-9H,1-4H3 |
| InChI Key | RXZLQSCORMCHDF-UHFFFAOYSA-N |
| MDL Number | MFCD04610470 |
| Molecular Formula | C13H17ClO |
| Molecular Weight | 224.7265 |
| SMILES | CC(C(C1=CC=C(C(C)(C)C)C=C1)=O)Cl |
| Synonyms | 59477-82-6,
1-(4-tert-Butyl-phenyl)-2-chloro-propan-1-one,
1-(4-tert-butylphenyl)-2-chloropropan-1-one,
1-(4-(tert-Butyl)phenyl)-2-chloropropan-1-one,
AC1MXNZN,
AC1Q1R3F,
SCHEMBL11850488,
CTK5B0015,
DTXSID30396847,
RXZLQSCORMCHDF-UHFFFAOYSA-N,
4'-tert-Butyl-2-chloropropiophenone,
MFCD04610470,
AKOS000200628,
AKOS017269031,
MCULE-9220007389,
NE39368,
NCGC00323572-01,
EN300-05971,
AB01319053-02,
ZINC03337431,
CID3818617,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.728g/mol |
| Monoisotopic Mass | 224.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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