N-hydroxy-3-nitrobenzenecarboximidoyl chloride

C7H5ClN2O3 — CID 2756318

IUPACN-hydroxy-3-nitrobenzenecarboximidoyl chloride
SMILESO=[N+]([O-])c1cccc(C(Cl)=NO)c1
InChIInChI=1S/C7H5ClN2O3/c8-7(9-11)5-2-1-3-6(4-5)10(12)13/h1-4,11H
InChIKeyLSAGTJSJWCRWAZ-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.97
Rot. Bonds2

About N-hydroxy-3-nitrobenzenecarboximidoyl chloride

N-hydroxy-3-nitrobenzenecarboximidoyl chloride (PubChem CID 2756318) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is N-hydroxy-3-nitrobenzenecarboximidoyl chloride.

Molecular Properties

Compound NameN-hydroxy-3-nitrobenzenecarboximidoyl chloride
PubChem CID2756318
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC NameN-hydroxy-3-nitrobenzenecarboximidoyl chloride
SMILESO=[N+]([O-])c1cccc(C(Cl)=NO)c1
InChIInChI=1S/C7H5ClN2O3/c8-7(9-11)5-2-1-3-6(4-5)10(12)13/h1-4,11H
InChIKeyLSAGTJSJWCRWAZ-UHFFFAOYSA-N
XLogP1.97
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 N-hydroxy-3-nitrobenzenecarboximidoyl chloride?
The IUPAC name of N-hydroxy-3-nitrobenzenecarboximidoyl chloride (CID 2756318) is N-hydroxy-3-nitrobenzenecarboximidoyl chloride.
What is the SMILES notation for N-hydroxy-3-nitrobenzenecarboximidoyl chloride?
The canonical SMILES for N-hydroxy-3-nitrobenzenecarboximidoyl chloride is O=[N+]([O-])c1cccc(C(Cl)=NO)c1.
What is the InChIKey of N-hydroxy-3-nitrobenzenecarboximidoyl chloride?
The InChIKey is LSAGTJSJWCRWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-7(9-11)5-2-1-3-6(4-5)10(12)13/h1-4,11H.
What are the key properties of N-hydroxy-3-nitrobenzenecarboximidoyl chloride?
N-hydroxy-3-nitrobenzenecarboximidoyl chloride has a molecular weight of 200.58 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-nitrobenzenecarboximidoyl chloride is sourced from PubChem (CID 2756318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).