2-chloro-4-nitroaniline;hydrochloride

C6H6Cl2N2O2 — CID 57351583

IUPAC2-chloro-4-nitroaniline;hydrochloride
SMILESCl.Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H5ClN2O2.ClH/c7-5-3-4(9(10)11)1-2-6(5)8;/h1-3H,8H2;1H
InChIKeyIOOGZWVFQQSSGX-UHFFFAOYSA-N
MW209.03 g/mol
LogP2.25
Rot. Bonds1

About 2-chloro-4-nitroaniline;hydrochloride

2-chloro-4-nitroaniline;hydrochloride (PubChem CID 57351583) has the molecular formula C6H6Cl2N2O2 and a molecular weight of 209.03 g/mol. Its IUPAC name is 2-chloro-4-nitroaniline;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-nitroaniline;hydrochloride
PubChem CID57351583
Molecular FormulaC6H6Cl2N2O2
Molecular Weight209.03 g/mol
Exact Mass207.98
IUPAC Name2-chloro-4-nitroaniline;hydrochloride
SMILESCl.Nc1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C6H5ClN2O2.ClH/c7-5-3-4(9(10)11)1-2-6(5)8;/h1-3H,8H2;1H
InChIKeyIOOGZWVFQQSSGX-UHFFFAOYSA-N
XLogP2.25
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.03
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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 2-chloro-4-nitroaniline;hydrochloride?
The IUPAC name of 2-chloro-4-nitroaniline;hydrochloride (CID 57351583) is 2-chloro-4-nitroaniline;hydrochloride.
What is the SMILES notation for 2-chloro-4-nitroaniline;hydrochloride?
The canonical SMILES for 2-chloro-4-nitroaniline;hydrochloride is Cl.Nc1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 2-chloro-4-nitroaniline;hydrochloride?
The InChIKey is IOOGZWVFQQSSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2.ClH/c7-5-3-4(9(10)11)1-2-6(5)8;/h1-3H,8H2;1H.
What are the key properties of 2-chloro-4-nitroaniline;hydrochloride?
2-chloro-4-nitroaniline;hydrochloride has a molecular weight of 209.03 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-nitroaniline;hydrochloride is sourced from PubChem (CID 57351583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).