4-chloro-3-(oxidoamino)benzoic acid

C7H5ClNO3- — CID 163675263

IUPAC4-chloro-3-(oxidoamino)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(N[O-])c1
InChIInChI=1S/C7H5ClNO3/c8-5-2-1-4(7(10)11)3-6(5)9-12/h1-3,9H,(H,10,11)/q-1
InChIKeyJGCYIASPAFGDOQ-UHFFFAOYSA-N
MW186.57 g/mol
LogP1.95
Rot. Bonds2

About 4-chloro-3-(oxidoamino)benzoic acid

4-chloro-3-(oxidoamino)benzoic acid (PubChem CID 163675263) has the molecular formula C7H5ClNO3- and a molecular weight of 186.57 g/mol. Its IUPAC name is 4-chloro-3-(oxidoamino)benzoic acid.

Molecular Properties

Compound Name4-chloro-3-(oxidoamino)benzoic acid
PubChem CID163675263
Molecular FormulaC7H5ClNO3-
Molecular Weight186.57 g/mol
Exact Mass186.00
IUPAC Name4-chloro-3-(oxidoamino)benzoic acid
SMILESO=C(O)c1ccc(Cl)c(N[O-])c1
InChIInChI=1S/C7H5ClNO3/c8-5-2-1-4(7(10)11)3-6(5)9-12/h1-3,9H,(H,10,11)/q-1
InChIKeyJGCYIASPAFGDOQ-UHFFFAOYSA-N
XLogP1.95
TPSA72.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.57
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(oxidoamino)benzoic acid?
The IUPAC name of 4-chloro-3-(oxidoamino)benzoic acid (CID 163675263) is 4-chloro-3-(oxidoamino)benzoic acid.
What is the SMILES notation for 4-chloro-3-(oxidoamino)benzoic acid?
The canonical SMILES for 4-chloro-3-(oxidoamino)benzoic acid is O=C(O)c1ccc(Cl)c(N[O-])c1.
What is the InChIKey of 4-chloro-3-(oxidoamino)benzoic acid?
The InChIKey is JGCYIASPAFGDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClNO3/c8-5-2-1-4(7(10)11)3-6(5)9-12/h1-3,9H,(H,10,11)/q-1.
What are the key properties of 4-chloro-3-(oxidoamino)benzoic acid?
4-chloro-3-(oxidoamino)benzoic acid has a molecular weight of 186.57 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(oxidoamino)benzoic acid is sourced from PubChem (CID 163675263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).