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1858487-22-5 | 4-chloro-2-(3-hydroxy-3-methylazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS No: 1858487-22-5 Catalog No: AG01C8UO MDL No:MFCD31443295
Product Description
Catalog Number:
AG01C8UO
Chemical Name:
4-chloro-2-(3-hydroxy-3-methylazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
CAS Number:
1858487-22-5
Molecular Formula:
C8H9ClN2O2S
Molecular Weight:
232.6873
MDL Number:
MFCD31443295
IUPAC Name:
4-chloro-2-(3-hydroxy-3-methylazetidin-1-yl)-1,3-thiazole-5-carbaldehyde
InChI:
InChI=1S/C8H9ClN2O2S/c1-8(13)3-11(4-8)7-10-6(9)5(2-12)14-7/h2,13H,3-4H2,1H3
InChI Key:
CBSGKRSDNBKBOJ-UHFFFAOYSA-N
SMILES:
O=Cc1sc(nc1Cl)N1CC(C1)(C)O
Properties
Complexity:
248
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:
1
Isotope Atom Count:
0
Molecular Weight:
232.682g/mol
Monoisotopic Mass:
232.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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