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Home > Fluorides > 251096-97-6
251096-97-6 | Proline, 1-[[3-(trifluoromethyl)phenyl]sulfonyl]-
CAS No: 251096-97-6 Catalog No: AG002QIJ MDL No:MFCD00172809
Product Description
Catalog Number:
AG002QIJ
Chemical Name:
Proline, 1-[[3-(trifluoromethyl)phenyl]sulfonyl]-
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
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