| CAS Number | 1345471-61-5 |
| Catalog Number | AG007M36(AGN-PC-0BGIDY) |
| Chemical Name | 1-Butyl-5-iodopyrazole |
| IUPAC Name | 1-butyl-5-iodopyrazole |
| InChI | InChI=1S/C7H11IN2/c1-2-3-6-10-7(8)4-5-9-10/h4-5H,2-3,6H2,1H3 |
| InChI Key | GTXVZUDUDAVKOQ-UHFFFAOYSA-N |
| MDL Number | MFCD20441942 |
| Molecular Formula | C7H11IN2 |
| Molecular Weight | 250.0801 |
| SMILES | CCCCn1nccc1I |
| Synonyms | 1-Butyl-5-iodopyrazole,
1345471-61-5,
ACMC-209bvh,
1-Butyl-5-iodo-1H-pyrazole,
CTK8B0240,
DTXSID70718448,
ANW-19659,
MFCD20441942,
ZINC74937923,
TC-108404,
Z9784,
K-4249,
2-Butyl-3-iodopyrazole,
C7H11IN2,
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| Complexity | 97.6 |
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.083g/mol |
| Monoisotopic Mass | 249.997g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number