(2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium

C14H8Cl2N2O5 — CID 139968538

IUPAC(2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium
SMILESO=C(O)c1cccc(Cl)c1/N=[N+](\[O-])c1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H8Cl2N2O5/c15-9-5-1-3-7(13(19)20)11(9)17-18(23)12-8(14(21)22)4-2-6-10(12)16/h1-6H,(H,19,20)(H,21,22)/b18-17-
InChIKeyLCXOHAMQSXOYKP-ZCXUNETKSA-N
MW355.13 g/mol
LogP4.32
Rot. Bonds4

About (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium

(2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium (PubChem CID 139968538) has the molecular formula C14H8Cl2N2O5 and a molecular weight of 355.13 g/mol. Its IUPAC name is (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium.

Molecular Properties

Compound Name(2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium
PubChem CID139968538
Molecular FormulaC14H8Cl2N2O5
Molecular Weight355.13 g/mol
Exact Mass353.98
IUPAC Name(2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium
SMILESO=C(O)c1cccc(Cl)c1/N=[N+](\[O-])c1c(Cl)cccc1C(=O)O
InChIInChI=1S/C14H8Cl2N2O5/c15-9-5-1-3-7(13(19)20)11(9)17-18(23)12-8(14(21)22)4-2-6-10(12)16/h1-6H,(H,19,20)(H,21,22)/b18-17-
InChIKeyLCXOHAMQSXOYKP-ZCXUNETKSA-N
XLogP4.32
TPSA113.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium?
The IUPAC name of (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium (CID 139968538) is (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium.
What is the SMILES notation for (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium?
The canonical SMILES for (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium is O=C(O)c1cccc(Cl)c1/N=[N+](\[O-])c1c(Cl)cccc1C(=O)O.
What is the InChIKey of (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium?
The InChIKey is LCXOHAMQSXOYKP-ZCXUNETKSA-N. The full InChI is InChI=1S/C14H8Cl2N2O5/c15-9-5-1-3-7(13(19)20)11(9)17-18(23)12-8(14(21)22)4-2-6-10(12)16/h1-6H,(H,19,20)(H,21,22)/b18-17-.
What are the key properties of (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium?
(2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium has a molecular weight of 355.13 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carboxy-6-chlorophenyl)-(2-carboxy-6-chlorophenyl)imino-oxidoazanium is sourced from PubChem (CID 139968538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).