1-chloro-2-ethenyl-3-nitrobenzene

C8H6ClNO2 — CID 11183019

IUPAC1-chloro-2-ethenyl-3-nitrobenzene
SMILESC=Cc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H6ClNO2/c1-2-6-7(9)4-3-5-8(6)10(11)12/h2-5H,1H2
InChIKeyZEGHCHAGPIZOPT-UHFFFAOYSA-N
MW183.59 g/mol
LogP2.89
Rot. Bonds2

About 1-chloro-2-ethenyl-3-nitrobenzene

1-chloro-2-ethenyl-3-nitrobenzene (PubChem CID 11183019) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 1-chloro-2-ethenyl-3-nitrobenzene.

Molecular Properties

Compound Name1-chloro-2-ethenyl-3-nitrobenzene
PubChem CID11183019
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name1-chloro-2-ethenyl-3-nitrobenzene
SMILESC=Cc1c(Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C8H6ClNO2/c1-2-6-7(9)4-3-5-8(6)10(11)12/h2-5H,1H2
InChIKeyZEGHCHAGPIZOPT-UHFFFAOYSA-N
XLogP2.89
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenyl-3-nitrobenzene?
The IUPAC name of 1-chloro-2-ethenyl-3-nitrobenzene (CID 11183019) is 1-chloro-2-ethenyl-3-nitrobenzene.
What is the SMILES notation for 1-chloro-2-ethenyl-3-nitrobenzene?
The canonical SMILES for 1-chloro-2-ethenyl-3-nitrobenzene is C=Cc1c(Cl)cccc1[N+](=O)[O-].
What is the InChIKey of 1-chloro-2-ethenyl-3-nitrobenzene?
The InChIKey is ZEGHCHAGPIZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c1-2-6-7(9)4-3-5-8(6)10(11)12/h2-5H,1H2.
What are the key properties of 1-chloro-2-ethenyl-3-nitrobenzene?
1-chloro-2-ethenyl-3-nitrobenzene has a molecular weight of 183.59 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenyl-3-nitrobenzene is sourced from PubChem (CID 11183019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).