4-nitroaniline;perchloric acid

C6H7ClN2O6 — CID 86177986

IUPAC4-nitroaniline;perchloric acid
SMILESNc1ccc([N+](=O)[O-])cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H6N2O2.ClHO4/c7-5-1-3-6(4-2-5)8(9)10;2-1(3,4)5/h1-4H,7H2;(H,2,3,4,5)
InChIKeyAULSMOHJCCOPMB-UHFFFAOYSA-N
MW238.58 g/mol
LogP-2.95
Rot. Bonds1

About 4-nitroaniline;perchloric acid

4-nitroaniline;perchloric acid (PubChem CID 86177986) has the molecular formula C6H7ClN2O6 and a molecular weight of 238.58 g/mol. Its IUPAC name is 4-nitroaniline;perchloric acid.

Molecular Properties

Compound Name4-nitroaniline;perchloric acid
PubChem CID86177986
Molecular FormulaC6H7ClN2O6
Molecular Weight238.58 g/mol
Exact Mass238.00
IUPAC Name4-nitroaniline;perchloric acid
SMILESNc1ccc([N+](=O)[O-])cc1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C6H6N2O2.ClHO4/c7-5-1-3-6(4-2-5)8(9)10;2-1(3,4)5/h1-4H,7H2;(H,2,3,4,5)
InChIKeyAULSMOHJCCOPMB-UHFFFAOYSA-N
XLogP-2.95
TPSA158.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.58
LogP ≤ 5-2.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-nitroaniline;perchloric acid?
The IUPAC name of 4-nitroaniline;perchloric acid (CID 86177986) is 4-nitroaniline;perchloric acid.
What is the SMILES notation for 4-nitroaniline;perchloric acid?
The canonical SMILES for 4-nitroaniline;perchloric acid is Nc1ccc([N+](=O)[O-])cc1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 4-nitroaniline;perchloric acid?
The InChIKey is AULSMOHJCCOPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2.ClHO4/c7-5-1-3-6(4-2-5)8(9)10;2-1(3,4)5/h1-4H,7H2;(H,2,3,4,5).
What are the key properties of 4-nitroaniline;perchloric acid?
4-nitroaniline;perchloric acid has a molecular weight of 238.58 g/mol, XLogP of -2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroaniline;perchloric acid is sourced from PubChem (CID 86177986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).