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Iodobenzene | SBID = 1092 | Compound |
Structure
Molecular Properties
Interactions: |
4
|
PubChem TPSA/Å2: |
0.0 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
3.2 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
0.0 |
Number of H-Bond Acceptors: |
0.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
0.0 |
3D Volume/Å3: |
99.3 |
Sum Formula: |
C6H5I |
M / g/mol: |
204.01 |
Complexity: |
46.0 |
Number of Conformers: |
1.0 |
Identifiers
-
Tags:
aromatic, typical guest
-
Name:
Iodobenzene
-
Preferred Abbreviation:
Iodobenzene
-
IUPAC Name:
iodobenzene
-
CAS:
591-50-4
-
CID:
11575
-
InChiKey:
SNHMUERNLJLMHN-UHFFFAOYSA-N
-
InChi:
InChI=1S/C6H5I/c7-6-4-2-1-3-5-6/h1-5H
-
CanoSmiles:
C1=CC=C(C=C1)I
-
IsoSmiles:
C1=CC=C(C=C1)I