| CAS Number | 1187385-85-8 |
| Catalog Number | AG007PRA(AGN-PC-0WAAHT) |
| Chemical Name | 4-Iodo-1-(pyridin-4-ylmethyl)pyrazole |
| IUPAC Name | 4-[(4-iodopyrazol-1-yl)methyl]pyridine |
| InChI | InChI=1S/C9H8IN3/c10-9-5-12-13(7-9)6-8-1-3-11-4-2-8/h1-5,7H,6H2 |
| InChI Key | VJZJXZDOGRDNQI-UHFFFAOYSA-N |
| MDL Number | MFCD12913970 |
| Molecular Formula | C9H8IN3 |
| Molecular Weight | 285.0844 |
| SMILES | Ic1cnn(c1)Cc1ccncc1 |
| Synonyms | 4-IODO-1-(PYRIDIN-4-YLMETHYL)PYRAZOLE,
1187385-85-8,
ACMC-2099yr,
CTK4B0834,
DTXSID50675383,
ANW-17185,
MFCD12913970,
ZINC38537886,
AKOS013754511,
4-[(4-iodopyrazol-1-yl)methyl]pyridine,
TR-034252,
Z7965,
4-[(4-Iodo-1H-pyrazol-1-yl)methyl]pyridine,
A-5273,
I14-25458,
C9H8IN3,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.088g/mol |
| Monoisotopic Mass | 284.976g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number