Home Halogens 4-chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carboxylic acid

4-chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carboxylic acid

CAS No.:
1463535-18-3
Catalog Number:
AG01AMSL
Molecular Formula:
C8H9ClN2O3S
Molecular Weight:
248.6867
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Product Description
Catalog Number:
AG01AMSL
Chemical Name:
4-chloro-2-(morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CAS Number:
1463535-18-3
Molecular Formula:
C8H9ClN2O3S
Molecular Weight:
248.6867
MDL Number:
MFCD23719666
IUPAC Name:
4-chloro-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C8H9ClN2O3S/c9-6-5(7(12)13)15-8(10-6)11-1-3-14-4-2-11/h1-4H2,(H,12,13)
InChI Key:
XEVUBSSDXQJFSR-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc(nc1Cl)N1CCOCC1
Properties
Complexity:
250  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.002g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.681g/mol
Monoisotopic Mass:
248.002g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
90.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties