| CAS Number | 1934574-07-8 |
| Catalog Number | AG01D93R(AGN-PC-0WD3GP) |
| Chemical Name | 6-Bromo-3-(Trifluoromethyl)-1H-Pyrrolo[2,3-B]Pyridine |
| IUPAC Name | 6-bromo-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C8H4BrF3N2/c9-6-2-1-4-5(8(10,11)12)3-13-7(4)14-6/h1-3H,(H,13,14) |
| InChI Key | LDSWYZBPNULBTG-UHFFFAOYSA-N |
| MDL Number | MFCD27922953 |
| Molecular Formula | C8H4BrF3N2 |
| Molecular Weight | 265.0300 |
| SMILES | FC(C1=CNC2=NC(Br)=CC=C21)(F)F |
| Synonyms | 6-Bromo-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine,
1934574-07-8,
MFCD27922953,
ZINC95830453,
AKOS022174408,
DS-6117,
FCH2496455,
AK138846,
AJ-134595,
AX8260449,
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| Complexity | 221 |
| 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 | 4 |
| 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 | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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