| CAS Number | 1881330-59-1 |
| Catalog Number | AG00I2LP(AGN-PC-0WQWU4) |
| Chemical Name | 2-(2-Bromophenyl)-N-(2-chloroethyl)acetamide |
| IUPAC Name | 2-(2-bromophenyl)-N-(2-chloroethyl)acetamide |
| InChI | InChI=1S/C10H11BrClNO/c11-9-4-2-1-3-8(9)7-10(14)13-6-5-12/h1-4H,5-7H2,(H,13,14) |
| InChI Key | KKEMOLWCUDLXSY-UHFFFAOYSA-N |
| MDL Number | MFCD29059784 |
| Molecular Formula | C10H11BrClNO |
| Molecular Weight | 276.5574 |
| SMILES | ClCCNC(=O)Cc1ccccc1Br |
| Synonyms | 2-(2-Bromophenyl)-N-(2-chloroethyl)acetamide,
1881330-59-1,
AKOS027373577,
ZINC243226015,
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| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.558g/mol |
| Monoisotopic Mass | 274.971g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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