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Home > Fluorides > 150433-22-0
150433-22-0 | 1H-Pyrazole, 3-(1,1-dimethylethyl)-5-(trifluoromethyl)-
CAS No: 150433-22-0 Catalog No: AG001MM7 MDL No:MFCD00729044
Product Description
Catalog Number:
AG001MM7
Chemical Name:
1H-Pyrazole, 3-(1,1-dimethylethyl)-5-(trifluoromethyl)-
CAS Number:
150433-22-0
Molecular Formula:
C8H11F3N2
Molecular Weight:
192.1815
MDL Number:
MFCD00729044
IUPAC Name:
3-tert-butyl-5-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C8H11F3N2/c1-7(2,3)5-4-6(13-12-5)8(9,10)11/h4H,1-3H3,(H,12,13)
InChI Key:
YIEPWAOKLZRBEL-UHFFFAOYSA-N
SMILES:
CC(c1n[nH]c(c1)C(F)(F)F)(C)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
192.185g/mol
Monoisotopic Mass:
192.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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