Home Other Building Blocks 1-tert-butyl-3-(trifluoromethyl)-1H-pyrazole

1-tert-butyl-3-(trifluoromethyl)-1H-pyrazole

CAS No.:
934406-00-5
Catalog Number:
AG01BD0L
Molecular Formula:
C8H11F3N2
Molecular Weight:
192.1815
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Product Description
Catalog Number:
AG01BD0L
Chemical Name:
1-tert-butyl-3-(trifluoromethyl)-1H-pyrazole
CAS Number:
934406-00-5
Molecular Formula:
C8H11F3N2
Molecular Weight:
192.1815
MDL Number:
MFCD21668185
IUPAC Name:
1-tert-butyl-3-(trifluoromethyl)pyrazole
InChI:
InChI=1S/C8H11F3N2/c1-7(2,3)13-5-4-6(12-13)8(9,10)11/h4-5H,1-3H3
InChI Key:
SJPJRACIVGKRDQ-UHFFFAOYSA-N
SMILES:
FC(c1ccn(n1)C(C)(C)C)(F)F
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.087g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.185g/mol
Monoisotopic Mass:
192.087g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties