| CAS Number | 1448858-54-5 |
| Catalog Number | AG00ASJC |
| Chemical Name | 1-(2-Amino-4-chlorophenyl)-2,2,2-trifluoroethan-1-one, 5-Chloro-2-(trifluoroacetyl)aniline |
| IUPAC Name | 1-(2-amino-4-chlorophenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C8H5ClF3NO/c9-4-1-2-5(6(13)3-4)7(14)8(10,11)12/h1-3H,13H2 |
| InChI Key | ROHPKDIGFIATBS-UHFFFAOYSA-N |
| MDL Number | MFCD21781429 |
| Molecular Formula | C8H5ClF3NO |
| Molecular Weight | 223.5796 |
| SMILES | NC1=C(C=CC(=C1)Cl)C(C(F)(F)F)=O |
| Synonyms | 1448858-54-5,
1-(2-amino-4-chlorophenyl)-2,2,2-trifluoroethanone,
2'-Amino-4'-chloro-2,2,2-trifluoroacetophenone,
ZX-AP000833,
MFCD21781429,
ZINC95917790,
PC10723,
PS-11365,
AS-813/43501980,
1-(2-amino-4-chlorophenyl)-2,2,2-trifluoroethanone, 95% - 1G 1g,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.579g/mol |
| Monoisotopic Mass | 223.001g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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