| CAS Number | 945840-70-0 |
| Catalog Number | AG00IICV(AGN-PC-0WCYPO) |
| Chemical Name | 7-chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine |
| IUPAC Name | 7-chloro-5-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine |
| InChI | InChI=1S/C8H4ClF3N2/c9-7-6-4(1-2-13-6)3-5(14-7)8(10,11)12/h1-3,13H |
| InChI Key | PJDRTVUWYASEJF-UHFFFAOYSA-N |
| MDL Number | MFCD18258889 |
| Molecular Formula | C8H4ClF3N2 |
| Molecular Weight | 220.5790 |
| SMILES | FC(C1=NC(Cl)=C2C(C=CN2)=C1)(F)F |
| Synonyms | 945840-70-0,
7-CHLORO-5-(TRIFLUOROMETHYL)-1H-PYRROLO[2,3-C]PYRIDINE,
7-chloro-5-trifluoromethyl-1H-pyrrolo[2,3-c]pyridine,
SCHEMBL3272647,
PJDRTVUWYASEJF-UHFFFAOYSA-N,
1H-Pyrrolo[2,3-c]pyridine, 7-chloro-5-(trifluoromethyl)-,
MFCD18258889,
ZINC89219597,
FCH1366161,
AS-39132,
AX8330377,
1h-pyrrolo[2,3-c]pyridine,7-chloro-5-(trifluoromethyl)-,
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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 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number