200,000+ products from a single source!
sales@angenechem.com
Home > Fluorides > 129398-41-0
129398-41-0 | Proline, 5-oxo-2-(trifluoromethyl)-
CAS No: 129398-41-0 Catalog No: AG000Z4H MDL No:
Product Description
Catalog Number:
AG000Z4H
Chemical Name:
Proline, 5-oxo-2-(trifluoromethyl)-
CAS Number:
129398-41-0
Molecular Formula:
C6H6F3NO3
Molecular Weight:
197.1119
IUPAC Name:
5-oxo-2-(trifluoromethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C6H6F3NO3/c7-6(8,9)5(4(12)13)2-1-3(11)10-5/h1-2H2,(H,10,11)(H,12,13)
InChI Key:
CPZQLLRWZKMQBY-UHFFFAOYSA-N
SMILES:
O=C1CC[C@](N1)(C(=O)O)C(F)(F)F
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
197.113g/mol
Monoisotopic Mass:
197.03g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.