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1864525-39-2 | 4-chloro-2-(3-methoxyazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1864525-39-2 Catalog No: AG01C8KH MDL No:MFCD29486476
Product Description
Catalog Number:
AG01C8KH
Chemical Name:
4-chloro-2-(3-methoxyazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1864525-39-2
Molecular Formula:
C8H9ClN2O2S
Molecular Weight:
232.6873
MDL Number:
MFCD29486476
IUPAC Name:
4-chloro-2-(3-methoxyazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H9ClN2O2S/c1-13-5-2-11(3-5)8-10-7(9)6(4-12)14-8/h4-5H,2-3H2,1H3
InChI Key:
DWSFCAVMPFAGCI-UHFFFAOYSA-N
SMILES:
COC1CN(C1)c1nc(c(s1)C=O)Cl
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.007g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.682g/mol
Monoisotopic Mass:
232.007g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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