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18800-01-6 | 3-Thiophenecarbonitrile, 2-iodo-
CAS No: 18800-01-6 Catalog No: AG002GNM MDL No:
Product Description
Catalog Number:
AG002GNM
Chemical Name:
3-Thiophenecarbonitrile, 2-iodo-
CAS Number:
18800-01-6
Molecular Formula:
C5H2INS
Molecular Weight:
235.0455
IUPAC Name:
2-iodothiophene-3-carbonitrile
InChI:
InChI=1S/C5H2INS/c6-5-4(3-7)1-2-8-5/h1-2H
InChI Key:
SAARTNKVCGHQCW-UHFFFAOYSA-N
SMILES:
Ic1sccc1C#N
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.895g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.042g/mol
Monoisotopic Mass:
234.895g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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