4-[hydroxy(oxido)amino]benzoyl chloride

C7H5ClNO3- — CID 21139736

IUPAC4-[hydroxy(oxido)amino]benzoyl chloride
SMILESO=C(Cl)c1ccc(N([O-])O)cc1
InChIInChI=1S/C7H5ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4,11H/q-1
InChIKeyOBJBPBDWKQWKPT-UHFFFAOYSA-N
MW186.57 g/mol
LogP1.76
Rot. Bonds2

About 4-[hydroxy(oxido)amino]benzoyl chloride

4-[hydroxy(oxido)amino]benzoyl chloride (PubChem CID 21139736) has the molecular formula C7H5ClNO3- and a molecular weight of 186.57 g/mol. Its IUPAC name is 4-[hydroxy(oxido)amino]benzoyl chloride.

Molecular Properties

Compound Name4-[hydroxy(oxido)amino]benzoyl chloride
PubChem CID21139736
Molecular FormulaC7H5ClNO3-
Molecular Weight186.57 g/mol
Exact Mass186.00
IUPAC Name4-[hydroxy(oxido)amino]benzoyl chloride
SMILESO=C(Cl)c1ccc(N([O-])O)cc1
InChIInChI=1S/C7H5ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4,11H/q-1
InChIKeyOBJBPBDWKQWKPT-UHFFFAOYSA-N
XLogP1.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.57
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', '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 4-[hydroxy(oxido)amino]benzoyl chloride?
The IUPAC name of 4-[hydroxy(oxido)amino]benzoyl chloride (CID 21139736) is 4-[hydroxy(oxido)amino]benzoyl chloride.
What is the SMILES notation for 4-[hydroxy(oxido)amino]benzoyl chloride?
The canonical SMILES for 4-[hydroxy(oxido)amino]benzoyl chloride is O=C(Cl)c1ccc(N([O-])O)cc1.
What is the InChIKey of 4-[hydroxy(oxido)amino]benzoyl chloride?
The InChIKey is OBJBPBDWKQWKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClNO3/c8-7(10)5-1-3-6(4-2-5)9(11)12/h1-4,11H/q-1.
What are the key properties of 4-[hydroxy(oxido)amino]benzoyl chloride?
4-[hydroxy(oxido)amino]benzoyl chloride has a molecular weight of 186.57 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(oxido)amino]benzoyl chloride is sourced from PubChem (CID 21139736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).