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85801-33-8 | 1H-Pyrrole, 1-(2-iodoethyl)-
CAS No: 85801-33-8 Catalog No: AG004RM0 MDL No:MFCD16653008
Product Description
Catalog Number:
AG004RM0
Chemical Name:
1H-Pyrrole, 1-(2-iodoethyl)-
CAS Number:
85801-33-8
Molecular Formula:
C6H8IN
Molecular Weight:
221.0389
MDL Number:
MFCD16653008
IUPAC Name:
1-(2-iodoethyl)pyrrole
InChI:
InChI=1S/C6H8IN/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6H2
InChI Key:
XHHPPESHFGNBLU-UHFFFAOYSA-N
SMILES:
ICCn1cccc1
Properties
Complexity:
59.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.97g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.041g/mol
Monoisotopic Mass:
220.97g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
4.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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