4-Iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde - CAS 1400644-65-6
Catalog: |
BB060691 |
Product Name: |
4-Iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde |
CAS: |
1400644-65-6 |
Synonyms: |
4-Iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde; 4-IODO-2-(OXAN-2-YL)PYRAZOLE-3-CARBALDEHYDE; 4-IODO-1-(OXAN-2-YL)-1H-PYRAZOLE-5-CARBALDEHYDE |
IUPAC Name: | 4-iodo-2-(oxan-2-yl)pyrazole-3-carbaldehyde |
Description: | 4-Iodo-1-(oxan-2-yl)pyrazole-5-carbaldehyde |
Molecular Weight: | 306.1 |
Molecular Formula: | C9H11IN2O2 |
Canonical SMILES: | C1CCOC(C1)N2C(=C(C=N2)I)C=O |
InChI: | InChI=1S/C9H11IN2O2/c10-7-5-11-12(8(7)6-13)9-3-1-2-4-14-9/h5-6,9H,1-4H2 |
InChI Key: | BQGKJKQPLRHELQ-UHFFFAOYSA-N |
Complexity: | 215 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 305.98653 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 305.98653 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 44.1Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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