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40197-02-2 | 3-Iodo-2,5-dimethylthiophene
CAS No: 40197-02-2 Catalog No: AG007418 MDL No:MFCD22369798
Product Description
Catalog Number:
AG007418
Chemical Name:
3-Iodo-2,5-dimethylthiophene
CAS Number:
40197-02-2
Molecular Formula:
C6H7IS
Molecular Weight:
238.0892
MDL Number:
MFCD22369798
IUPAC Name:
3-iodo-2,5-dimethylthiophene
InChI:
InChI=1S/C6H7IS/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
InChI Key:
SHOXGOWAOZUVEB-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1)I)C
NSC Number:
170827
Properties
Complexity:
84.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.931g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.086g/mol
Monoisotopic Mass:
237.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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