| CAS Number | 432496-28-1 |
| Catalog Number | AG00DD29(AGN-PC-0WB4OH) |
| Chemical Name | N-(4-bromo-2-methylphenyl)-2-(4-isopropylphenoxy)acetamide |
| IUPAC Name | N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide |
| InChI | InChI=1S/C18H20BrNO2/c1-12(2)14-4-7-16(8-5-14)22-11-18(21)20-17-9-6-15(19)10-13(17)3/h4-10,12H,11H2,1-3H3,(H,20,21) |
| InChI Key | PTQIAMFFOFCBQH-UHFFFAOYSA-N |
| MDL Number | MFCD03143456 |
| Molecular Formula | C18H20BrNO2 |
| Molecular Weight | 362.2609 |
| SMILES | N(C(COC1C=CC(=CC=1)C(C)C)=O)C1=CC=C(C=C1C)Br |
| Synonyms | N-(4-bromo-2-methylphenyl)-2-(4-isopropylphenoxy)acetamide,
432496-28-1,
AC1LKBLT,
Oprea1_385305,
CTK4I7209,
DTXSID80359720,
ZINC638660,
MFCD03143456,
STK005151,
AKOS003042765,
MCULE-7573460881,
AJ-23799,
Y-0121,
AO-081/41197257,
N-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenoxy)acetamide,
N-(4-bromo-2-methylphenyl)-2-[4-(propan-2-yl)phenoxy]acetamide,
PTQIAMFFOFCBQH-UHFFFAOYSA-N,
CID988594,
ZINC00638660,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 361.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 362.267g/mol |
| Monoisotopic Mass | 361.068g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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