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Home > Aldehydes > 2059994-41-9
2059994-41-9 | 2-chloro-1-(piperidin-3-yl)-1H-imidazole-5-carbaldehyde
CAS No: 2059994-41-9 Catalog No: AG01BX3G MDL No:MFCD30477676
Product Description
Catalog Number:
AG01BX3G
Chemical Name:
2-chloro-1-(piperidin-3-yl)-1H-imidazole-5-carbaldehyde
CAS Number:
2059994-41-9
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
MDL Number:
MFCD30477676
IUPAC Name:
2-chloro-3-piperidin-3-ylimidazole-4-carbaldehyde
InChI:
InChI=1S/C9H12ClN3O/c10-9-12-5-8(6-14)13(9)7-2-1-3-11-4-7/h5-7,11H,1-4H2
InChI Key:
WLMMEUADLGVKND-UHFFFAOYSA-N
SMILES:
O=Cc1cnc(n1C1CCCNC1)Cl
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.665g/mol
Monoisotopic Mass:
213.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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