| CAS Number | 431995-26-5 |
| Catalog Number | AG00DAV2(AGN-PC-0WB4OE) |
| Chemical Name | N-(2-Bromophenyl)-2-(4-isopropylphenoxy)acetamide |
| IUPAC Name | N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide |
| InChI | InChI=1S/C17H18BrNO2/c1-12(2)13-7-9-14(10-8-13)21-11-17(20)19-16-6-4-3-5-15(16)18/h3-10,12H,11H2,1-2H3,(H,19,20) |
| InChI Key | CRZVJPJGYARLPB-UHFFFAOYSA-N |
| MDL Number | MFCD03143314 |
| Molecular Formula | C17H18BrNO2 |
| Molecular Weight | 348.2343 |
| SMILES | N(C1=CC=CC=C1Br)C(COC1=CC=C(C=C1)C(C)C)=O |
| Synonyms | 431995-26-5,
N-(2-BROMOPHENYL)-2-(4-ISOPROPYLPHENOXY)ACETAMIDE,
CHEMBRDG-BB 6791496,
STK071891,
AC1LJI4K,
Cambridge id 6791496,
Oprea1_502722,
N-(2-bromophenyl)-2-[4-(propan-2-yl)phenoxy]acetamide,
CTK4I7164,
DTXSID30358925,
ZINC514151,
MFCD03143314,
AKOS002948204,
MCULE-3522864274,
AJ-23266,
Y-0120,
AB00119330-01,
N-(2-bromophenyl)-2-(4-propan-2-ylphenoxy)acetamide,
CID924943,
ZINC00514151,
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| Complexity | 327 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 347.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 348.24g/mol |
| Monoisotopic Mass | 347.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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