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101767-83-3 | Pyrrolidine, 1-(phenylmethyl)-3-(phenylsulfonyl)-
CAS No: 101767-83-3 Catalog No: AG0005F8 MDL No:
Product Description
Catalog Number:
AG0005F8
Chemical Name:
Pyrrolidine, 1-(phenylmethyl)-3-(phenylsulfonyl)-
CAS Number:
101767-83-3
Molecular Formula:
C17H19NO2S
Molecular Weight:
301.4033
IUPAC Name:
3-(benzenesulfonyl)-1-benzylpyrrolidine
InChI:
InChI=1S/C17H19NO2S/c19-21(20,16-9-5-2-6-10-16)17-11-12-18(14-17)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChI Key:
OTTOUOKAVIJSMY-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C1CCN(C1)Cc1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.404g/mol
Monoisotopic Mass:
301.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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