1H-Pyrazole, 3-bromo-5-(trifluoromethyl)-


Chemical Name: 1H-Pyrazole, 3-bromo-5-(trifluoromethyl)-
CAS Number: 93608-11-8
Product Number: AG00IHOZ(AGN-PC-0I3402)
Synonyms:
MDL No: MFCD12755885
Molecular Formula: C4H2BrF3N2
Molecular Weight: 214.9713

Identification/Properties


Computed Properties
Molecular Weight:
214.973g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
213.935g/mol
Monoisotopic Mass:
213.935g/mol
Topological Polar Surface Area:
28.7A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
126
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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