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Home > Fluorides > 1101743-81-0
1101743-81-0 | ((3-fluorophenyl)sulfonyl)proline
CAS No: 1101743-81-0 Catalog No: AG01FLXZ MDL No:MFCD07433698
Product Description
Catalog Number:
AG01FLXZ
Chemical Name:
((3-fluorophenyl)sulfonyl)proline
CAS Number:
1101743-81-0
Molecular Formula:
C11H12FNO4S
Molecular Weight:
273.2807
MDL Number:
MFCD07433698
IUPAC Name:
1-(3-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C11H12FNO4S/c12-8-3-1-4-9(7-8)18(16,17)13-6-2-5-10(13)11(14)15/h1,3-4,7,10H,2,5-6H2,(H,14,15)
InChI Key:
SQSYMBNMDIWYOV-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCN1S(=O)(=O)c1cccc(c1)F
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.278g/mol
Monoisotopic Mass:
273.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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