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Home > Aldehydes > 1859684-44-8
1859684-44-8 | 4-chloro-2-(3-hydroxyazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1859684-44-8 Catalog No: AG01C8TH MDL No:MFCD31443259
Product Description
Catalog Number:
AG01C8TH
Chemical Name:
4-chloro-2-(3-hydroxyazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1859684-44-8
Molecular Formula:
C7H7ClN2O2S
Molecular Weight:
218.6607
MDL Number:
MFCD31443259
IUPAC Name:
4-chloro-2-(3-hydroxyazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C7H7ClN2O2S/c8-6-5(3-11)13-7(9-6)10-1-4(12)2-10/h3-4,12H,1-2H2
InChI Key:
GPZCJQJWCIPPEG-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CC(C1)O
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.655g/mol
Monoisotopic Mass:
217.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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