| CAS Number | 1805250-35-4 |
| Catalog Number | AG00I03M(AGN-PC-0WP1M1) |
| Chemical Name | 3-Amino-6-bromo-2-(trifluoromethyl)benzonitrile |
| IUPAC Name | 3-amino-6-bromo-2-(trifluoromethyl)benzonitrile |
| InChI | InChI=1S/C8H4BrF3N2/c9-5-1-2-6(14)7(4(5)3-13)8(10,11)12/h1-2H,14H2 |
| InChI Key | XTQNCDURNQDQJN-UHFFFAOYSA-N |
| MDL Number | MFCD28737351 |
| Molecular Formula | C8H4BrF3N2 |
| Molecular Weight | 265.0300 |
| SMILES | N#Cc1c(Br)ccc(c1C(F)(F)F)N |
| Synonyms | 3-Amino-6-bromo-2-(trifluoromethyl)benzonitrile,
1805250-35-4,
AKOS027259027,
ZINC242722744,
4-Bromo-3-cyano-2-(trifluoromethyl)aniline,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.033g/mol |
| Monoisotopic Mass | 263.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number