| CAS Number | 591226-55-0 |
| Catalog Number | AG00EC1F(AGN-PC-0WB4QS) |
| Chemical Name | N-(3-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide |
| IUPAC Name | N-(3-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide |
| InChI | InChI=1S/C15H13BrClNO2/c1-20-12-5-2-10(3-6-12)8-15(19)18-11-4-7-14(17)13(16)9-11/h2-7,9H,8H2,1H3,(H,18,19) |
| InChI Key | FRROQLPKRQCCOM-UHFFFAOYSA-N |
| MDL Number | MFCD03711602 |
| Molecular Formula | C15H13BrClNO2 |
| Molecular Weight | 354.6262 |
| SMILES | COc1ccc(cc1)CC(=O)Nc1ccc(c(c1)Br)Cl |
| Synonyms | 591226-55-0,
N-(3-bromo-4-chlorophenyl)-2-(4-methoxyphenyl)acetamide,
CHEMBRDG-BB 7048127,
AC1MFSM7,
Cambridge id 7048127,
CTK5A9470,
DTXSID20387845,
ZINC4845731,
MFCD03711602,
AKOS003193851,
MCULE-9371723290,
AJ-52459,
Y-0770,
CHEMBRDG-BB7048127,
ZINC04845731,
CID2925092,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 354.628g/mol |
| Monoisotopic Mass | 352.982g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number