| CAS Number | 22459-83-2 |
| Catalog Number | AG019F05(AGN-PC-0ND2QY) |
| Chemical Name | N-(3-Bromo-4-chlorophenyl)acetamide |
| IUPAC Name | N-(3-bromo-4-chlorophenyl)acetamide |
| InChI | InChI=1S/C8H7BrClNO/c1-5(12)11-6-2-3-8(10)7(9)4-6/h2-4H,1H3,(H,11,12) |
| InChI Key | RJYJDUZRIZRSHN-UHFFFAOYSA-N |
| MDL Number | MFCD23831922 |
| Molecular Formula | C8H7BrClNO |
| Molecular Weight | 248.5043 |
| SMILES | CC(NC1=CC=C(Cl)C(Br)=C1)=O |
| Synonyms | N-(3-bromo-4-chlorophenyl)acetamide,
22459-83-2,
ZINC34571243,
AKOS018646116,
CS-0060862,
3-bromo-4-chloroacetanilide,
N-(3-bromo-4-chloro-phenyl)acetamide,
CID10933882,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.504g/mol |
| Monoisotopic Mass | 246.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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