Home Halogens 5-(bromomethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole

5-(bromomethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole

CAS No.:
942060-05-1
Catalog Number:
AG01C6ZA
Molecular Formula:
C6H6BrF3N2
Molecular Weight:
243.0244
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Product Description
Catalog Number:
AG01C6ZA
Chemical Name:
5-(bromomethyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CAS Number:
942060-05-1
Molecular Formula:
C6H6BrF3N2
Molecular Weight:
243.0244
MDL Number:
MFCD25969342
IUPAC Name:
5-(bromomethyl)-1-methyl-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C6H6BrF3N2/c1-12-4(3-7)2-5(11-12)6(8,9)10/h2H,3H2,1H3
InChI Key:
HYOKGGPDWIXPJN-UHFFFAOYSA-N
SMILES:
BrCc1cc(nn1C)C(F)(F)F
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.967g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.027g/mol
Monoisotopic Mass:
241.967g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties