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13781-27-6 | 2-Thiophenemethanol, 5-iodo-
CAS No: 13781-27-6 Catalog No: AG0013VS MDL No:
Product Description
Catalog Number:
AG0013VS
Chemical Name:
2-Thiophenemethanol, 5-iodo-
CAS Number:
13781-27-6
Molecular Formula:
C5H5IOS
Molecular Weight:
240.0621
IUPAC Name:
(5-iodothiophen-2-yl)methanol
InChI:
InChI=1S/C5H5IOS/c6-5-2-1-4(3-7)8-5/h1-2,7H,3H2
InChI Key:
VTPZGZASDXXIQL-UHFFFAOYSA-N
SMILES:
OCc1ccc(s1)I
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.911g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.058g/mol
Monoisotopic Mass:
239.911g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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