200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1153329-93-1
1153329-93-1 | 3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CAS No: 1153329-93-1 Catalog No: AG01FJYP MDL No:
Product Description
Catalog Number:
AG01FJYP
Chemical Name:
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CAS Number:
1153329-93-1
Molecular Formula:
C8H9F3N2O2
Molecular Weight:
222.1645
IUPAC Name:
3-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
InChI:
InChI=1S/C8H9F3N2O2/c1-5(4-7(14)15)13-3-2-6(12-13)8(9,10)11/h2-3,5H,4H2,1H3,(H,14,15)
InChI Key:
OWRBXDUQRMCGBL-UHFFFAOYSA-N
SMILES:
CC(n1ccc(n1)C(F)(F)F)CC(=O)O
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.062g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.167g/mol
Monoisotopic Mass:
222.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.