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1003562-01-3 | Pyrrolidine, 3-(phenylsulfonyl)-, hydrochloride (1:1)
CAS No: 1003562-01-3 Catalog No: AG0001P4 MDL No:MFCD08445575
Product Description
Catalog Number:
AG0001P4
Chemical Name:
Pyrrolidine, 3-(phenylsulfonyl)-, hydrochloride (1:1)
CAS Number:
1003562-01-3
Molecular Formula:
C10H14ClNO2S
Molecular Weight:
247.7417
MDL Number:
MFCD08445575
IUPAC Name:
3-(benzenesulfonyl)pyrrolidine;hydrochloride
InChI:
InChI=1S/C10H13NO2S.ClH/c12-14(13,10-6-7-11-8-10)9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H
InChI Key:
MUMXFWPSGKJXFA-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C1CNCC1.Cl
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.737g/mol
Monoisotopic Mass:
247.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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