| CAS Number | 433921-37-0 |
| Catalog Number | AG00DFXH(AGN-PC-03STMA) |
| Chemical Name | 1-(PYRIMIDIN-2-YL)-1H-IMIDAZOLE-4-CARBALDEHYDE |
| IUPAC Name | 1-pyrimidin-2-ylimidazole-4-carbaldehyde |
| InChI | InChI=1S/C8H6N4O/c13-5-7-4-12(6-11-7)8-9-2-1-3-10-8/h1-6H |
| InChI Key | LCRBOCRJBFMASO-UHFFFAOYSA-N |
| MDL Number | MFCD08669924 |
| Molecular Formula | C8H6N4O |
| Molecular Weight | 174.1594 |
| SMILES | O=CC1=CN(C=N1)C1=NC=CC=N1 |
| Synonyms | 1-(pyrimidin-2-yl)-1h-imidazole-4-carbaldehyde,
433921-37-0,
1-(2-pyrimidinyl)-1H-imidazole-4-carboxaldehyde,
1-(Pyrimidin-2-yl)-1H-imidazole-4-carboxaldehyde,
SCHEMBL6658886,
CTK4I7303,
DTXSID70627122,
LCRBOCRJBFMASO-UHFFFAOYSA-N,
ZX-AT016859,
MFCD08669924,
ZINC33414759,
FCH1119834,
ACM433921370,
AS-53382,
1-(pyrimidin-2-yl)imidazole-4-carbaldehyde,
1-(2-Pyrimidinyl)-1H-imidazole4-carboxaldehyde,
1-(Pyrimidin-2-yl)-1H-imidazole-4-carbaldehyde, AldrichCPR,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.163g/mol |
| Monoisotopic Mass | 174.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 60.7A^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-H335
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number