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1865558-22-0 | 4-chloro-2-{2-oxa-5-azabicyclo[2.2.1]heptan-5-yl}-1,3-thiazole-5-carbaldehyde
CAS No: 1865558-22-0 Catalog No: AG01C8WD MDL No:MFCD31443347
Product Description
Catalog Number:
AG01C8WD
Chemical Name:
4-chloro-2-{2-oxa-5-azabicyclo[2.2.1]heptan-5-yl}-1,3-thiazole-5-carbaldehyde
CAS Number:
1865558-22-0
Molecular Formula:
C9H9ClN2O2S
Molecular Weight:
244.6980
MDL Number:
MFCD31443347
IUPAC Name:
4-chloro-2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C9H9ClN2O2S/c10-8-7(3-13)15-9(11-8)12-2-6-1-5(12)4-14-6/h3,5-6H,1-2,4H2
InChI Key:
VRUNFDYDSVBEEY-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CC2CC1CO2
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.007g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.693g/mol
Monoisotopic Mass:
244.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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