4- (Bromomethyl) - 1- ethyl-1H- pyrazole - CAS 1515137-08-2
Catalog: |
BB074095 |
Product Name: |
4- (Bromomethyl) - 1- ethyl-1H- pyrazole |
CAS: |
1515137-08-2 |
Synonyms: |
4-(bromomethyl)-1-ethyl-1H-pyrazole; 4-(bromomethyl)-1-ethylpyrazole |
IUPAC Name: | 4-(bromomethyl)-1-ethylpyrazole |
Molecular Weight: | 189.05 |
Molecular Formula: | C6H9BrN2 |
Canonical SMILES: | CCN1C=C(C=N1)CBr |
InChI: | InChI=1S/C6H9BrN2/c1-2-9-5-6(3-7)4-8-9/h4-5H,2-3H2,1H3 |
InChI Key: | SUKKPHVSKOPBOH-UHFFFAOYSA-N |
Complexity: | 87.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.99491 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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