| CAS Number | 1805249-14-2 |
| Catalog Number | AG00221Z(AGN-PC-0WR3EV) |
| Chemical Name | 2-Bromo-4-fluoro-3-(trifluoromethyl)aniline |
| IUPAC Name | 2-bromo-4-fluoro-3-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4BrF4N/c8-6-4(13)2-1-3(9)5(6)7(10,11)12/h1-2H,13H2 |
| InChI Key | JTPACHMIKOCFFN-UHFFFAOYSA-N |
| MDL Number | MFCD28740794 |
| Molecular Formula | C7H4BrF4N |
| Molecular Weight | 258.0110 |
| SMILES | NC1=CC=C(F)C(=C1Br)C(F)(F)F |
| Synonyms | 2-Bromo-4-fluoro-3-(trifluoromethyl)aniline,
1805249-14-2,
MFCD28740794,
AKOS027339623,
ZINC261507552,
AS-46409,
Benzenamine, 2-bromo-4-fluoro-3-(trifluoromethyl)-,
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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 | 256.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.014g/mol |
| Monoisotopic Mass | 256.946g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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