| CAS Number | 923248-45-7 |
| Catalog Number | AG019PDC |
| Chemical Name | 2-chloro-N-{2-methyl-1-[4-(propan-2-yl)phenyl]propyl}acetamide |
| IUPAC Name | 2-chloro-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide |
| InChI | InChI=1S/C15H22ClNO/c1-10(2)12-5-7-13(8-6-12)15(11(3)4)17-14(18)9-16/h5-8,10-11,15H,9H2,1-4H3,(H,17,18) |
| InChI Key | ZUZCOINWKDETRD-UHFFFAOYSA-N |
| MDL Number | MFCD08691099 |
| Molecular Formula | C15H22ClNO |
| Molecular Weight | 267.7943 |
| SMILES | CC(C(C1=CC=C(C(C)C)C=C1)NC(CCl)=O)C |
| Synonyms | 2-chloro-N-{2-methyl-1-[4-(propan-2-yl)phenyl]propyl}acetamide,
923248-45-7,
2-chloro-N-[1-(4-isopropylphenyl)-2-methylpropyl]acetamide,
AC1Q1O67,
CTK6H5239,
AKOS030685945,
MCULE-2161440126,
NE37978,
UPCMLD0ENAT5666520:001,
EN300-23281,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.797g/mol |
| Monoisotopic Mass | 267.139g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number