1-(2-Bromoethyl)-4-chloro-1H-pyrazole - CAS 1011801-59-4
Catalog: |
BB000458 |
Product Name: |
1-(2-Bromoethyl)-4-chloro-1H-pyrazole |
CAS: |
1011801-59-4 |
Synonyms: |
1-(2-bromoethyl)-4-chloropyrazole |
IUPAC Name: | 1-(2-bromoethyl)-4-chloropyrazole |
Description: | 1-(2-Bromoethyl)-4-chloro-1H-pyrazole (CAS# 1011801-59-4) is a useful research chemical. |
Molecular Weight: | 209.47 |
Molecular Formula: | C5H6BrClN2 |
Canonical SMILES: | C1=C(C=NN1CCBr)Cl |
InChI: | InChI=1S/C5H6BrClN2/c6-1-2-9-4-5(7)3-8-9/h3-4H,1-2H2 |
InChI Key: | JWVGNGVIZSRTHN-UHFFFAOYSA-N |
Purity: | 95 % |
LogP: | 1.93140 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2013072468-A1 | Substituted piperazines as cb1 antagonists | 20110915 |
CA-2732922-A1 | 2-amino pyrimidine compounds as potent hsp-90 inhibitors | 20080813 |
EP-2331544-A1 | 2-amino pyrimidine compounds as potent hsp-90 inhibitors | 20080813 |
JP-2011530580-A | 2-Aminopyrimidine compounds as potent HSP-90 inhibitors | 20080813 |
US-2010041681-A1 | 2-amino pyrimidine compounds as potent hsp-90 inhibitors | 20080813 |
Complexity: | 91 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.94029 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.94029 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 17.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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