2-(4-nitrophenyl)chromenylium perchlorate

C15H10ClNO7 — CID 13045838

IUPAC2-(4-nitrophenyl)chromenylium perchlorate
SMILESO=[N+]([O-])c1ccc(-c2ccc3ccccc3[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H10NO3.ClHO4/c17-16(18)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)19-15;2-1(3,4)5/h1-10H;(H,2,3,4,5)/q+1;/p-1
InChIKeyUYALDERVEKMJBD-UHFFFAOYSA-M
MW351.70 g/mol
LogP-0.47
Rot. Bonds2

About 2-(4-nitrophenyl)chromenylium perchlorate

2-(4-nitrophenyl)chromenylium perchlorate (PubChem CID 13045838) has the molecular formula C15H10ClNO7 and a molecular weight of 351.70 g/mol. Its IUPAC name is 2-(4-nitrophenyl)chromenylium perchlorate.

Molecular Properties

Compound Name2-(4-nitrophenyl)chromenylium perchlorate
PubChem CID13045838
Molecular FormulaC15H10ClNO7
Molecular Weight351.70 g/mol
Exact Mass351.01
IUPAC Name2-(4-nitrophenyl)chromenylium perchlorate
SMILESO=[N+]([O-])c1ccc(-c2ccc3ccccc3[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C15H10NO3.ClHO4/c17-16(18)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)19-15;2-1(3,4)5/h1-10H;(H,2,3,4,5)/q+1;/p-1
InChIKeyUYALDERVEKMJBD-UHFFFAOYSA-M
XLogP-0.47
TPSA146.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.70
LogP ≤ 5-0.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', '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-(4-nitrophenyl)chromenylium perchlorate?
The IUPAC name of 2-(4-nitrophenyl)chromenylium perchlorate (CID 13045838) is 2-(4-nitrophenyl)chromenylium perchlorate.
What is the SMILES notation for 2-(4-nitrophenyl)chromenylium perchlorate?
The canonical SMILES for 2-(4-nitrophenyl)chromenylium perchlorate is O=[N+]([O-])c1ccc(-c2ccc3ccccc3[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(4-nitrophenyl)chromenylium perchlorate?
The InChIKey is UYALDERVEKMJBD-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H10NO3.ClHO4/c17-16(18)13-8-5-12(6-9-13)15-10-7-11-3-1-2-4-14(11)19-15;2-1(3,4)5/h1-10H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-(4-nitrophenyl)chromenylium perchlorate?
2-(4-nitrophenyl)chromenylium perchlorate has a molecular weight of 351.70 g/mol, XLogP of -0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)chromenylium perchlorate is sourced from PubChem (CID 13045838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).