| CAS Number | 1340571-52-9 |
| Catalog Number | AG01BRHD(AGN-PC-0WNR5Q) |
| Chemical Name | 1-(cyclopropylmethyl)-4-iodo-1H-pyrazole |
| IUPAC Name | 1-(cyclopropylmethyl)-4-iodopyrazole |
| InChI | InChI=1S/C7H9IN2/c8-7-3-9-10(5-7)4-6-1-2-6/h3,5-6H,1-2,4H2 |
| InChI Key | SXBRZFVZNYEHIV-UHFFFAOYSA-N |
| MDL Number | MFCD20327530 |
| Molecular Formula | C7H9IN2 |
| Molecular Weight | 248.0642 |
| SMILES | IC1=CN(CC2CC2)N=C1 |
| Synonyms | 1-(Cyclopropylmethyl)-4-iodo-1H-pyrazole,
1340571-52-9,
SCHEMBL670849,
SXBRZFVZNYEHIV-UHFFFAOYSA-N,
ZINC70679504,
AKOS013754298,
1-Cyclopropylmethyl-4-iodo-1H-pyrazole,
A1-07049,
F8886-7540,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.067g/mol |
| Monoisotopic Mass | 247.981g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number