200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 122980-83-0
122980-83-0 | 1H-Pyrazole, 3-butyl-5-(trifluoromethyl)-
CAS No: 122980-83-0 Catalog No: AG000JV3 MDL No:
Product Description
Catalog Number:
AG000JV3
Chemical Name:
1H-Pyrazole, 3-butyl-5-(trifluoromethyl)-
CAS Number:
122980-83-0
Molecular Formula:
C8H11F3N2
Molecular Weight:
192.1815
IUPAC Name:
5-butyl-3-(trifluoromethyl)-1H-pyrazole
InChI:
InChI=1S/C8H11F3N2/c1-2-3-4-6-5-7(13-12-6)8(9,10)11/h5H,2-4H2,1H3,(H,12,13)
InChI Key:
QCOCVGBRVUAGQF-UHFFFAOYSA-N
SMILES:
CCCCc1cc([nH]n1)C(F)(F)F
Properties
Complexity:
158
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:
3
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.