Home Other Building Blocks 5-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-1,3-thiazolidine-2,4-dione

5-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-1,3-thiazolidine-2,4-dione

CAS No.:
894259-20-2
Catalog Number:
AG019OW6
Molecular Formula:
C12H9F2NO4S
Molecular Weight:
301.2660
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Product Description
Catalog Number:
AG019OW6
Chemical Name:
5-{[4-(difluoromethoxy)-3-methoxyphenyl]methylidene}-1,3-thiazolidine-2,4-dione
CAS Number:
894259-20-2
Molecular Formula:
C12H9F2NO4S
Molecular Weight:
301.2660
MDL Number:
MFCD11857757
IUPAC Name:
5-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
InChI:
InChI=1S/C12H9F2NO4S/c1-18-8-4-6(2-3-7(8)19-11(13)14)5-9-10(16)15-12(17)20-9/h2-5,11H,1H3,(H,15,16,17)
InChI Key:
WRFAYKGRGVRSAG-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC(F)F)C=C1SC(=O)NC1=O
Properties
Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.022g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
301.264g/mol
Monoisotopic Mass:
301.022g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
89.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
3.1  
Properties