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87721-22-0 | 4-Iodo-1H-pyrrole-2-carbonitrile
CAS No: 87721-22-0 Catalog No: AG004GH1 MDL No:
Product Description
Catalog Number:
AG004GH1
Chemical Name:
4-Iodo-1H-pyrrole-2-carbonitrile
CAS Number:
87721-22-0
Molecular Formula:
C5H3IN2
Molecular Weight:
217.9952
IUPAC Name:
4-iodo-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C5H3IN2/c6-4-1-5(2-7)8-3-4/h1,3,8H
InChI Key:
MEUPPRKGBVQHPM-UHFFFAOYSA-N
SMILES:
Ic1cc([nH]c1)C#N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.934g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.997g/mol
Monoisotopic Mass:
217.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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