4-Bromo-1-cyclobutylpyrazole - CAS 1002309-50-3
Catalog: |
BB072104 |
Product Name: |
4-Bromo-1-cyclobutylpyrazole |
CAS: |
1002309-50-3 |
Synonyms: |
4-bromo-1-cyclobutylpyrazole; 4-bromo-1-cyclobutyl-1H-pyrazole; 4-bromo-1-(cyclobutyl)-1H-pyrazole |
IUPAC Name: | 4-bromo-1-cyclobutylpyrazole |
Description: | 4-Bromo-1-cyclobutylpyrazole |
Molecular Weight: | 201.06 |
Molecular Formula: | C7H9BrN2 |
Canonical SMILES: | C1CC(C1)N2C=C(C=N2)Br |
InChI: | InChI=1S/C7H9BrN2/c8-6-4-9-10(5-6)7-2-1-3-7/h4-5,7H,1-3H2 |
InChI Key: | WILOMGXFNRGZMJ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 |
Signal Word: | Warning |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 199.99491 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 199.99491 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 17.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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