Home Halogens 3-bromo-4-(trifluoromethyl)-1H-pyrazole

3-bromo-4-(trifluoromethyl)-1H-pyrazole

CAS No.:
1936710-01-8
Catalog Number:
AG01B715
Molecular Formula:
C4H2BrF3N2
Molecular Weight:
214.9713
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Product Description
Catalog Number:
AG01B715
Chemical Name:
3-bromo-4-(trifluoromethyl)-1H-pyrazole
CAS Number:
1936710-01-8
Molecular Formula:
C4H2BrF3N2
Molecular Weight:
214.9713
MDL Number:
MFCD26518978
IUPAC Name:
5-bromo-4-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C4H2BrF3N2/c5-3-2(1-9-10-3)4(6,7)8/h1H,(H,9,10)
InChI Key:
LURICFKQKMFTLN-UHFFFAOYSA-N
SMILES:
FC(c1c[nH]nc1Br)(F)F
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.935g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
214.973g/mol
Monoisotopic Mass:
213.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties