1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene

C8H5ClINO2 — CID 132608056

IUPAC1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C(\I)c1ccccc1Cl
InChIInChI=1S/C8H5ClINO2/c9-7-4-2-1-3-6(7)8(10)5-11(12)13/h1-5H/b8-5-
InChIKeyPMOLYKMCNYQSER-YVMONPNESA-N
MW309.49 g/mol
LogP3.35
Rot. Bonds2

About 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene

1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene (PubChem CID 132608056) has the molecular formula C8H5ClINO2 and a molecular weight of 309.49 g/mol. Its IUPAC name is 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene
PubChem CID132608056
Molecular FormulaC8H5ClINO2
Molecular Weight309.49 g/mol
Exact Mass308.91
IUPAC Name1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C(\I)c1ccccc1Cl
InChIInChI=1S/C8H5ClINO2/c9-7-4-2-1-3-6(7)8(10)5-11(12)13/h1-5H/b8-5-
InChIKeyPMOLYKMCNYQSER-YVMONPNESA-N
XLogP3.35
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.49
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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1-chloro-2-nitrobenzene;2-nitrophenol
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene?
The IUPAC name of 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene (CID 132608056) is 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene.
What is the SMILES notation for 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene?
The canonical SMILES for 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene is O=[N+]([O-])/C=C(\I)c1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene?
The InChIKey is PMOLYKMCNYQSER-YVMONPNESA-N. The full InChI is InChI=1S/C8H5ClINO2/c9-7-4-2-1-3-6(7)8(10)5-11(12)13/h1-5H/b8-5-.
What are the key properties of 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene?
1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene has a molecular weight of 309.49 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(Z)-1-iodo-2-nitroethenyl]benzene is sourced from PubChem (CID 132608056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).