Home Carboxys methyl 4-iodo-1,2-thiazole-3-carboxylate

methyl 4-iodo-1,2-thiazole-3-carboxylate

CAS No.:
397329-61-2
Catalog Number:
AG01C3MW
Molecular Formula:
C5H4INO2S
Molecular Weight:
269.0602
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Product Description
Catalog Number:
AG01C3MW
Chemical Name:
methyl 4-iodo-1,2-thiazole-3-carboxylate
CAS Number:
397329-61-2
Molecular Formula:
C5H4INO2S
Molecular Weight:
269.0602
MDL Number:
MFCD29060514
IUPAC Name:
methyl 4-iodo-1,2-thiazole-3-carboxylate
InChI:
InChI=1S/C5H4INO2S/c1-9-5(8)4-3(6)2-10-7-4/h2H,1H3
InChI Key:
NDXAPAKRFXGRKU-UHFFFAOYSA-N
SMILES:
COC(=O)c1nscc1I
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.901g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.056g/mol
Monoisotopic Mass:
268.901g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties