4-Bromo-5-iodo-1-(oxan-2-yl)pyrazole - CAS 1352318-61-6
Catalog: |
BB071610 |
Product Name: |
4-Bromo-5-iodo-1-(oxan-2-yl)pyrazole |
CAS: |
1352318-61-6 |
Synonyms: |
4-BROMO-5-IODO-1-(OXAN-2-YL)PYRAZOLE |
IUPAC Name: | 4-bromo-5-iodo-1-(oxan-2-yl)pyrazole |
Description: | 4-Bromo-5-iodo-1-(oxan-2-yl)pyrazole |
Molecular Weight: | 356.98 |
Molecular Formula: | C8H10BrIN2O |
Canonical SMILES: | C1CCOC(C1)N2C(=C(C=N2)Br)I |
InChI: | InChI=1S/C8H10BrIN2O/c9-6-5-11-12(8(6)10)7-3-1-2-4-13-7/h5,7H,1-4H2 |
InChI Key: | HOPMYZSOSLJDAT-UHFFFAOYSA-N |
Complexity: | 184 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 355.90212 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 355.90212 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 27Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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