| CAS Number | 918487-10-2 |
| Catalog Number | AG003E6J(AGN-PC-09PZCR) |
| Chemical Name | 1-Butyl-4-iodo-1H-pyrazole |
| IUPAC Name | 1-butyl-4-iodopyrazole |
| InChI | InChI=1S/C7H11IN2/c1-2-3-4-10-6-7(8)5-9-10/h5-6H,2-4H2,1H3 |
| InChI Key | QPURVXUEGIIVDN-UHFFFAOYSA-N |
| MDL Number | MFCD16036120 |
| Molecular Formula | C7H11IN2 |
| Molecular Weight | 250.0801 |
| SMILES | IC1C=NN(CCCC)C=1 |
| Synonyms | 1-Butyl-4-iodo-1H-pyrazole,
918487-10-2,
ACMC-209rdt,
SCHEMBL177537,
CTK5H0561,
DTXSID60681995,
QPURVXUEGIIVDN-UHFFFAOYSA-N,
ANW-39759,
MFCD16036120,
ZINC65337123,
AKOS013752387,
AJ-115006,
ST2403390,
TR-038401,
V9144,
B-4102,
I14-25148,
F8886-7542,
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