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101769-04-4 | Pyrrolidine, 3-(phenylsulfonyl)-
CAS No: 101769-04-4 Catalog No: AG0005FP MDL No:MFCD08445575
Product Description
Catalog Number:
AG0005FP
Chemical Name:
Pyrrolidine, 3-(phenylsulfonyl)-
CAS Number:
101769-04-4
Molecular Formula:
C10H13NO2S
Molecular Weight:
211.2807
MDL Number:
MFCD08445575
IUPAC Name:
3-(benzenesulfonyl)pyrrolidine
InChI:
InChI=1S/C10H13NO2S/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChI Key:
LHGKEGUGTRSIKW-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C1CNCC1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.279g/mol
Monoisotopic Mass:
211.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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