| CAS Number | 932406-36-5 |
| Catalog Number | AG00IHIL(AGN-PC-0WAN48) |
| Chemical Name | 6-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
| IUPAC Name | 6-chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine |
| InChI | InChI=1S/C8H4ClF3N2/c9-6-2-1-4-5(8(10,11)12)3-13-7(4)14-6/h1-3H,(H,13,14) |
| InChI Key | BZGSFGFNHIPAIZ-UHFFFAOYSA-N |
| MDL Number | MFCD13189868 |
| Molecular Formula | C8H4ClF3N2 |
| Molecular Weight | 220.5790 |
| SMILES | Clc1ccc2c(n1)[nH]cc2C(F)(F)F |
| Synonyms | 932406-36-5,
6-Chloro-3-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine,
1H-PYRROLO[2,3-B]PYRIDINE, 6-CHLORO-3-(TRIFLUOROMETHYL)-,
AK138203,
1H-Pyrrolo[2,3-b]pyridine,6-chloro-3-(trifluoromethyl)-,
KS-00000RQZ,
DTXSID70856859,
MFCD13189868,
ZINC95830096,
AKOS022173830,
AB69277,
FCH1381338,
AJ-134238,
AX8259752,
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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 | 220.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.579g/mol |
| Monoisotopic Mass | 220.002g/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 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number