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142182-71-6 | 1,3,5-Cycloheptatriene, 7-iodo-
CAS No: 142182-71-6 Catalog No: AG001HWO MDL No:
Product Description
Catalog Number:
AG001HWO
Chemical Name:
1,3,5-Cycloheptatriene, 7-iodo-
CAS Number:
142182-71-6
Molecular Formula:
C7H7I
Molecular Weight:
218.0350
IUPAC Name:
7-iodocyclohepta-1,3,5-triene
InChI:
InChI=1S/C7H7I/c8-7-5-3-1-2-4-6-7/h1-7H
InChI Key:
AQWWXWSXTIHEKS-UHFFFAOYSA-N
SMILES:
IC1C=CC=CC=C1
Properties
Complexity:
127
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.959g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.037g/mol
Monoisotopic Mass:
217.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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