| CAS Number | 1233026-11-3 |
| Catalog Number | AG009YDA(AGN-PC-0WOLP4) |
| Chemical Name | 3-Bromo-4-fluoro-5-trifluoromethyl-phenylamine |
| IUPAC Name | 3-bromo-4-fluoro-5-(trifluoromethyl)aniline |
| InChI | InChI=1S/C7H4BrF4N/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H,13H2 |
| InChI Key | FNWBXSBUORVUQH-UHFFFAOYSA-N |
| MDL Number | MFCD11520114 |
| Molecular Formula | C7H4BrF4N |
| Molecular Weight | 258.0110 |
| SMILES | BrC=1C=C(N)C=C(C1F)C(F)(F)F |
| Synonyms | 3-Bromo-4-fluoro-5-(trifluoromethyl)aniline,
1233026-11-3,
5-Amino-3-bromo-2-fluorobenzotrifluoride,
3-Bromo-4-fluoro-5-trifluoromethyl-phenylamine,
MFCD11520114,
ZINC63772322,
AKOS015888826,
CM11312,
SC-45275,
AJ-114461,
CS-0030502,
I01-16599,
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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
Lot Number