3-(Bromomethyl)-1-propyl-1H-pyrazole hydrobromide - CAS 1855907-07-1
Catalog: |
BB051492 |
Product Name: |
3-(Bromomethyl)-1-propyl-1H-pyrazole hydrobromide |
CAS: |
1855907-07-1 |
Synonyms: |
1H-Pyrazole, 3-(bromomethyl)-1-propyl-, hydrobromide (1:1) |
Related CAS: | 1855907-06-0 (free base)
|
IUPAC Name: | 3-(bromomethyl)-1-propylpyrazole;hydrobromide |
Molecular Weight: | 283.99 |
Molecular Formula: | C7H12Br2N2 |
Canonical SMILES: | CCCN1C=CC(=N1)CBr.Br |
InChI: | InChI=1S/C7H11BrN2.BrH/c1-2-4-10-5-3-7(6-8)9-10;/h3,5H,2,4,6H2,1H3;1H |
InChI Key: | NLAOUPKQDCLNRB-UHFFFAOYSA-N |
Purity: | ≥95% |
Complexity: | 97.6 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.93467 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.93672 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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