4-bromo-1-(2-fluoroethyl)-1H-pyrazole - CAS 1049730-35-9
Catalog: |
BB001535 |
Product Name: |
4-bromo-1-(2-fluoroethyl)-1H-pyrazole |
CAS: |
1049730-35-9 |
Synonyms: |
4-bromo-1-(2-fluoroethyl)pyrazole; 4-bromo-1-(2-fluoroethyl)pyrazole |
IUPAC Name: | 4-bromo-1-(2-fluoroethyl)pyrazole |
Description: | 4-bromo-1-(2-fluoroethyl)-1H-pyrazole (CAS# 1049730-35-9) is a useful research chemical. |
Molecular Weight: | 193.019 |
Molecular Formula: | C5H6BrFN2 |
Canonical SMILES: | C1=C(C=NN1CCF)Br |
InChI: | InChI=1S/C5H6BrFN2/c6-5-3-8-9(4-5)2-1-7/h3-4H,1-2H2 |
InChI Key: | HPGMZNXSPQISEJ-UHFFFAOYSA-N |
LogP: | 1.61510 |
Publication Number | Title | Priority Date |
AU-2013290375-A1 | 5-HT3 receptor antagonists | 20120717 |
AU-2013290375-B2 | 5-HT3 receptor antagonists | 20120717 |
CA-2879115-A1 | 5-ht3 receptor antagonists | 20120717 |
EA-025986-B1 | ANTAGONISTS 5-HT3 RECEPTOR | 20120717 |
EP-2875011-A1 | 5-ht3 receptor antagonists | 20120717 |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.96984 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.96984 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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