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56821-80-8 | 2,3,4-triiodo-1H-pyrrole
CAS No: 56821-80-8 Catalog No: AG01EIIY MDL No:MFCD28664201
Product Description
Catalog Number:
AG01EIIY
Chemical Name:
2,3,4-triiodo-1H-pyrrole
CAS Number:
56821-80-8
Molecular Formula:
C4H2I3N
Molecular Weight:
444.7788
MDL Number:
MFCD28664201
IUPAC Name:
2,3,4-triiodo-1H-pyrrole
InChI:
InChI=1S/C4H2I3N/c5-2-1-8-4(7)3(2)6/h1,8H
InChI Key:
MVKIZMQMOKLIIF-UHFFFAOYSA-N
SMILES:
Ic1[nH]cc(c1I)I
Properties
Complexity:
87.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.732g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
444.78g/mol
Monoisotopic Mass:
444.732g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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