| CAS Number | 1408334-75-7 |
| Catalog Number | AG001CUX(AGN-PC-0WAN9P) |
| Chemical Name | 1H-Pyrazole-1-ethanol, 4-iodo- |
| IUPAC Name | 2-(4-iodopyrazol-1-yl)ethanol |
| InChI | InChI=1S/C5H7IN2O/c6-5-3-7-8(4-5)1-2-9/h3-4,9H,1-2H2 |
| InChI Key | BQTYRYUORKTCJO-UHFFFAOYSA-N |
| MDL Number | MFCD16619492 |
| Molecular Formula | C5H7IN2O |
| Molecular Weight | 238.0263 |
| SMILES | IC1=CN(CCO)N=C1 |
| Synonyms | 2-(4-Iodo-1H-pyrazol-1-yl)ethanol,
1408334-75-7,
2-(4-iodo-1H-pyrazol-1-yl)ethan-1-ol,
4-Iodo-1H-pyrazole-1-ethanol,
SCHEMBL13672040,
BQTYRYUORKTCJO-UHFFFAOYSA-N,
1H-Pyrazole-1-ethanol, 4-iodo-,
2-(4-Iodo-pyrazol-1-yl)-ethanol,
MFCD16619492,
ZINC79903386,
AKOS013752536,
DS-8084,
AK145306,
SY120041,
AJ-123806,
CS-0041660,
MFCD16619492 (95%),
F2198-2066,
|
| Complexity | 91 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.028g/mol |
| Monoisotopic Mass | 237.96g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338-P310
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UN Code
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Certificate of Analysis
Lot Number