| CAS Number | 390356-27-1 |
| Catalog Number | AG00CA97(AGN-PC-03H2M1) |
| Chemical Name | 3,5-Diethyl-4-iodo-1H-pyrazole |
| IUPAC Name | 3,5-diethyl-4-iodo-1H-pyrazole |
| InChI | InChI=1S/C7H11IN2/c1-3-5-7(8)6(4-2)10-9-5/h3-4H2,1-2H3,(H,9,10) |
| InChI Key | HKJYPQZKGXFVJQ-UHFFFAOYSA-N |
| MDL Number | MFCD07772011 |
| Molecular Formula | C7H11IN2 |
| Molecular Weight | 250.0801 |
| SMILES | CCC1C(I)=C(CC)NN=1 |
| Synonyms | 3,5-DIETHYL-4-IODO-1H-PYRAZOLE,
390356-27-1,
SCHEMBL5752138,
DTXSID90619266,
HKJYPQZKGXFVJQ-UHFFFAOYSA-N,
ZINC95932114,
AKOS034132230,
FCH1324128,
ACM390356271,
AN-28553,
BBV-40199967,
DB-069750,
FT-0760022,
356D271,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.083g/mol |
| Monoisotopic Mass | 249.997g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 28.7A^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