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462114-38-1 | 5-chloro-2-(pyrrolidin-3-yloxy)pyridine
CAS No: 462114-38-1 Catalog No: AG01FM0Z MDL No:MFCD16713981
Product Description
Catalog Number:
AG01FM0Z
Chemical Name:
5-chloro-2-(pyrrolidin-3-yloxy)pyridine
CAS Number:
462114-38-1
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
MDL Number:
MFCD16713981
IUPAC Name:
5-chloro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
InChI:
InChI=1S/C9H11ClN2O/c10-7-1-2-9(12-5-7)13-8-3-4-11-6-8/h1-2,5,8,11H,3-4,6H2/t8-/m0/s1
InChI Key:
XIAKIURVSAVKQS-QMMMGPOBSA-N
SMILES:
Clc1ccc(nc1)OC1CNCC1
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
34.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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