| CAS Number | 1392274-29-1 |
| Catalog Number | AG009WQB(AGN-PC-0WBEKN) |
| Chemical Name | 1-Ethyl-5-iodopyrazole |
| IUPAC Name | 1-ethyl-5-iodopyrazole |
| InChI | InChI=1S/C5H7IN2/c1-2-8-5(6)3-4-7-8/h3-4H,2H2,1H3 |
| InChI Key | INTZXERAWGOGMJ-UHFFFAOYSA-N |
| MDL Number | MFCD24448831 |
| Molecular Formula | C5H7IN2 |
| Molecular Weight | 222.0269 |
| SMILES | C(C)N1N=CC=C1I |
| Synonyms | 1-Ethyl-5-iodopyrazole,
1-ethyl-5-iodo-1H-pyrazole,
1392274-29-1,
SCHEMBL20548194,
KM5584,
MFCD24448831,
STL415219,
ZINC95098451,
AKOS024273201,
MCULE-7507084372,
V2890,
C5H7IN2,
N/A,
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| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.029g/mol |
| Monoisotopic Mass | 221.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number