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

C8H6ClNO2 — CID 10877784

IUPAC[(Z)-2-chloro-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C(Cl)=C/c1ccccc1
InChIInChI=1S/C8H6ClNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyBQOIOXRQQPRNCO-SOFGYWHQSA-N
MW183.59 g/mol
LogP2.50
Rot. Bonds2

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

[(Z)-2-chloro-2-nitroethenyl]benzene (PubChem CID 10877784) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is [(Z)-2-chloro-2-nitroethenyl]benzene.

Molecular Properties

Compound Name[(Z)-2-chloro-2-nitroethenyl]benzene
PubChem CID10877784
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name[(Z)-2-chloro-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C(Cl)=C/c1ccccc1
InChIInChI=1S/C8H6ClNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6+
InChIKeyBQOIOXRQQPRNCO-SOFGYWHQSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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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Frequently Asked Questions

What is the IUPAC name of [(Z)-2-chloro-2-nitroethenyl]benzene?
The IUPAC name of [(Z)-2-chloro-2-nitroethenyl]benzene (CID 10877784) is [(Z)-2-chloro-2-nitroethenyl]benzene.
What is the SMILES notation for [(Z)-2-chloro-2-nitroethenyl]benzene?
The canonical SMILES for [(Z)-2-chloro-2-nitroethenyl]benzene is O=[N+]([O-])/C(Cl)=C/c1ccccc1.
What is the InChIKey of [(Z)-2-chloro-2-nitroethenyl]benzene?
The InChIKey is BQOIOXRQQPRNCO-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H6ClNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H/b8-6+.
What are the key properties of [(Z)-2-chloro-2-nitroethenyl]benzene?
[(Z)-2-chloro-2-nitroethenyl]benzene has a molecular weight of 183.59 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-chloro-2-nitroethenyl]benzene is sourced from PubChem (CID 10877784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).