| CAS Number | 1805524-30-4 |
| Catalog Number | AG00AT0X(AGN-PC-0WQY7A) |
| Chemical Name | 2-Chloro-5-fluoro-4-trifluoromethyl-phenylamine |
| IUPAC Name | 2-chloro-5-fluoro-4-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4ClF4N/c8-4-1-3(7(10,11)12)5(9)2-6(4)13/h1-2H,13H2 |
| InChI Key | HQCISOOHPIHPGW-UHFFFAOYSA-N |
| MDL Number | MFCD28752558 |
| Molecular Formula | C7H4ClF4N |
| Molecular Weight | 213.5600 |
| SMILES | ClC1=C(C=C(C(=C1)C(F)(F)F)F)N |
| Synonyms | 2-Chloro-5-fluoro-4-(trifluoromethyl)aniline,
1805524-30-4,
AKOS027351298,
2-Chloro-5-fluoro-4-trifluoromethyl-phenylamine,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.56g/mol |
| Monoisotopic Mass | 212.997g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number