| CAS Number | 1892533-73-1 |
| Catalog Number | AG002I4P(AGN-PC-0WNGR7) |
| Chemical Name | 1H-Indazole, 3-iodo-7-(trifluoromethyl)- |
| IUPAC Name | 3-iodo-7-(trifluoromethyl)-2H-indazole |
| InChI | InChI=1S/C8H4F3IN2/c9-8(10,11)5-3-1-2-4-6(5)13-14-7(4)12/h1-3H,(H,13,14) |
| InChI Key | UIMQMUWZZHZEIL-UHFFFAOYSA-N |
| MDL Number | MFCD26519160 |
| Molecular Formula | C8H4F3IN2 |
| Molecular Weight | 312.0304 |
| SMILES | IC1=NNC2=C(C=CC=C12)C(F)(F)F |
| Synonyms | 3-Iodo-7-(trifluoromethyl)-1H-indazole,
1892533-73-1,
KS-000005CO,
MFCD26519160,
AKOS030628574,
ZINC238574260,
AS-53071,
1H-Indazole, 3-iodo-7-(trifluoromethyl)-,
CS-0051304,
na,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.034g/mol |
| Monoisotopic Mass | 311.937g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number