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3339-80-8 | 5,5'-Diiodo-2,2'-bithiophene
CAS No: 3339-80-8 Catalog No: AG00CMZL MDL No:MFCD00159576
Product Description
Catalog Number:
AG00CMZL
Chemical Name:
5,5'-Diiodo-2,2'-bithiophene
CAS Number:
3339-80-8
Molecular Formula:
C8H4I2S2
Molecular Weight:
418.0563
MDL Number:
MFCD00159576
IUPAC Name:
2-iodo-5-(5-iodothiophen-2-yl)thiophene
InChI:
InChI=1S/C8H4I2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H
InChI Key:
QUQPGKLCKMUWCP-UHFFFAOYSA-N
SMILES:
Ic1ccc(s1)c1ccc(s1)I
Properties
Complexity:
147
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.784g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.049g/mol
Monoisotopic Mass:
417.784g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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