4-Bromo-1-(1,3-dioxolan-2-ylmethyl)pyrazole - CAS 1207175-26-5
Catalog: |
BB072245 |
Product Name: |
4-Bromo-1-(1,3-dioxolan-2-ylmethyl)pyrazole |
CAS: |
1207175-26-5 |
Synonyms: |
4-Bromo-1-(1,3-dioxolan-2-ylmethyl)-1H-pyrazole |
IUPAC Name: | 4-bromo-1-(1,3-dioxolan-2-ylmethyl)pyrazole |
Description: | 4-Bromo-1-(1,3-dioxolan-2-ylmethyl)pyrazole |
Molecular Weight: | 233.06 |
Molecular Formula: | C7H9BrN2O2 |
Canonical SMILES: | C1COC(O1)CN2C=C(C=N2)Br |
InChI: | InChI=1S/C7H9BrN2O2/c8-6-3-9-10(4-6)5-7-11-1-2-12-7/h3-4,7H,1-2,5H2 |
InChI Key: | DEAWSZWIONWQML-UHFFFAOYSA-N |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.98474 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.98474 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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