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1389315-10-9 | Methyl 3,5-diiodo-2-thiophenecarboxylate
CAS No: 1389315-10-9 Catalog No: AG01FC04 MDL No:MFCD22380019
Product Description
Catalog Number:
AG01FC04
Chemical Name:
Methyl 3,5-diiodo-2-thiophenecarboxylate
CAS Number:
1389315-10-9
Molecular Formula:
C6H4I2O2S
Molecular Weight:
393.9687
MDL Number:
MFCD22380019
IUPAC Name:
methyl 3,5-diiodothiophene-2-carboxylate
InChI:
InChI=1S/C6H4I2O2S/c1-10-6(9)5-3(7)2-4(8)11-5/h2H,1H3
InChI Key:
YHKDNDZSUULRAD-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(cc1I)I
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.802g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.965g/mol
Monoisotopic Mass:
393.802g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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