200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 1598936-56-1
1598936-56-1 | "1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-ol"
CAS No: 1598936-56-1 Catalog No: AG01FM6F MDL No:MFCD28149263
Product Description
Catalog Number:
AG01FM6F
Chemical Name:
"1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-ol"
CAS Number:
1598936-56-1
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD28149263
IUPAC Name:
1-(2,2,2-trifluoroethyl)pyrazol-4-ol
InChI:
InChI=1S/C5H5F3N2O/c6-5(7,8)3-10-2-4(11)1-9-10/h1-2,11H,3H2
InChI Key:
JRTWIXMEOBPWCP-UHFFFAOYSA-N
SMILES:
FC(Cn1ncc(c1)O)(F)F
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.035g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
166.103g/mol
Monoisotopic Mass:
166.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.