| CAS Number | 97760-87-7 |
| Catalog Number | AG01E978(AGN-PC-00MBK1) |
| Chemical Name | 1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-ethanone |
| IUPAC Name | 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone |
| InChI | InChI=1S/C9H6BrClF3NO/c10-3-7(16)4-1-5(9(12,13)14)8(15)6(11)2-4/h1-2H,3,15H2 |
| InChI Key | DELZHBDHJNWKKY-UHFFFAOYSA-N |
| MDL Number | MFCD15146820 |
| Molecular Formula | C9H6BrClF3NO |
| Molecular Weight | 316.5022 |
| SMILES | BrCC(C1=CC(C(F)(F)F)=C(N)C(Cl)=C1)=O |
| Synonyms | 97760-87-7,
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethanone,
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-ethanone,
Ethanone, 1-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromo-,
1-(4-AMINO-3-CHLORO-5-(TRIFLUOROMETHYL)PHENYL)-2-BROMOETHANONE,
DELZHBDHJNWKKY-UHFFFAOYSA-N,
ACMC-20m1po,
SCHEMBL5167276,
CTK3F2025,
DTXSID00538090,
ZINC39617250,
AKOS030254651,
SC-20067,
FT-0661686,
1-(4-amino-3-chloro-5-(trifluoromethyl)phenyl)-2-b,
4'-Amino-2-bromo-3'-chloro-5'-(trifluoromethyl)acetophenone,
1-[4-Amino-3-chloro-5-(trifluoromethyl)phenyl]-2-bromoethan-1-one,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.927g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.502g/mol |
| Monoisotopic Mass | 314.927g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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