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60813-84-5 | 3-Iodo-2,4,5-trimethylthiophene
CAS No: 60813-84-5 Catalog No: AG003JL6 MDL No:MFCD00191528
Product Description
Catalog Number:
AG003JL6
Chemical Name:
3-Iodo-2,4,5-trimethylthiophene
CAS Number:
60813-84-5
Molecular Formula:
C7H9IS
Molecular Weight:
252.1158
MDL Number:
MFCD00191528
IUPAC Name:
3-iodo-2,4,5-trimethylthiophene
InChI:
InChI=1S/C7H9IS/c1-4-5(2)9-6(3)7(4)8/h1-3H3
InChI Key:
FYPOBSHIONYIKX-UHFFFAOYSA-N
SMILES:
Cc1sc(c(c1I)C)C
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.947g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.113g/mol
Monoisotopic Mass:
251.947g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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