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Home > Aldehydes > 1934562-51-2
1934562-51-2 | 2-{2-thia-5-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-carbaldehyde
CAS No: 1934562-51-2 Catalog No: AG01C8XX MDL No:MFCD31443396
Product Description
Catalog Number:
AG01C8XX
Chemical Name:
2-{2-thia-5-azabicyclo[2.2.1]heptan-5-yl}pyridine-3-carbaldehyde
CAS Number:
1934562-51-2
Molecular Formula:
C11H12N2OS
Molecular Weight:
220.2908
MDL Number:
MFCD31443396
IUPAC Name:
2-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)pyridine-3-carbaldehyde
InChI:
InChI=1S/C11H12N2OS/c14-6-8-2-1-3-12-11(8)13-5-10-4-9(13)7-15-10/h1-3,6,9-10H,4-5,7H2
InChI Key:
INSBJMIZYRQNIW-UHFFFAOYSA-N
SMILES:
O=Cc1cccnc1N1CC2CC1CS2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.067g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.29g/mol
Monoisotopic Mass:
220.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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