5-(5-bromothiophen-2-yl)-1H-pyrazole


Chemical Name: 5-(5-bromothiophen-2-yl)-1H-pyrazole
CAS Number: 166196-67-4
Product Number: AG001WKL(AGN-PC-0KK78D)
Synonyms:
MDL No:
Molecular Formula: C7H5BrN2S
Molecular Weight: 229.0970

Identification/Properties


Computed Properties
Molecular Weight:
229.095g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
227.936g/mol
Monoisotopic Mass:
227.936g/mol
Topological Polar Surface Area:
56.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
144
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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