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Home > Pyridines > 1420980-56-8
1420980-56-8 | Pyridine, 4-(3-pyrrolidinylsulfonyl)-, hydrochloride (1:1)
CAS No: 1420980-56-8 Catalog No: AG001HRW MDL No:
Product Description
Catalog Number:
AG001HRW
Chemical Name:
Pyridine, 4-(3-pyrrolidinylsulfonyl)-, hydrochloride (1:1)
CAS Number:
1420980-56-8
Molecular Formula:
C9H13ClN2O2S
Molecular Weight:
248.7297
IUPAC Name:
4-pyrrolidin-3-ylsulfonylpyridine;hydrochloride
InChI:
InChI=1S/C9H12N2O2S.ClH/c12-14(13,9-3-6-11-7-9)8-1-4-10-5-2-8;/h1-2,4-5,9,11H,3,6-7H2;1H
InChI Key:
HCVKIRQCLGPGET-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccncc1)C1CNCC1.Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.725g/mol
Monoisotopic Mass:
248.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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