Home Sulfos 1-([3-(Trifluoromethyl)phenyl]sulfonyl)-2-pyrrolidinecarboxylic acid

1-([3-(Trifluoromethyl)phenyl]sulfonyl)-2-pyrrolidinecarboxylic acid

CAS No.:
251096-97-6
Catalog Number:
AG002QIJ
Molecular Formula:
C12H12F3NO4S
Molecular Weight:
323.2882
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$148
- +
1g
1 week
United States
$316
- +
Product Description
Catalog Number:
AG002QIJ
Chemical Name:
1-([3-(Trifluoromethyl)phenyl]sulfonyl)-2-pyrrolidinecarboxylic acid
CAS Number:
251096-97-6
Molecular Formula:
C12H12F3NO4S
Molecular Weight:
323.2882
MDL Number:
MFCD00172809
IUPAC Name:
1-[3-(trifluoromethyl)phenyl]sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H12F3NO4S/c13-12(14,15)8-3-1-4-9(7-8)21(19,20)16-6-2-5-10(16)11(17)18/h1,3-4,7,10H,2,5-6H2,(H,17,18)
InChI Key:
RYNZZKHRKJIGHR-UHFFFAOYSA-N
SMILES:
OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
500  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.044g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.286g/mol
Monoisotopic Mass:
323.044g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties