1-(chloroamino)oxy-4-nitrobenzene

C6H5ClN2O3 — CID 143366644

IUPAC1-(chloroamino)oxy-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(ONCl)cc1
InChIInChI=1S/C6H5ClN2O3/c7-8-12-6-3-1-5(2-4-6)9(10)11/h1-4,8H
InChIKeyXCDLWJLEWZERLS-UHFFFAOYSA-N
MW188.57 g/mol
LogP1.63
Rot. Bonds3

About 1-(chloroamino)oxy-4-nitrobenzene

1-(chloroamino)oxy-4-nitrobenzene (PubChem CID 143366644) has the molecular formula C6H5ClN2O3 and a molecular weight of 188.57 g/mol. Its IUPAC name is 1-(chloroamino)oxy-4-nitrobenzene.

Molecular Properties

Compound Name1-(chloroamino)oxy-4-nitrobenzene
PubChem CID143366644
Molecular FormulaC6H5ClN2O3
Molecular Weight188.57 g/mol
Exact Mass188.00
IUPAC Name1-(chloroamino)oxy-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(ONCl)cc1
InChIInChI=1S/C6H5ClN2O3/c7-8-12-6-3-1-5(2-4-6)9(10)11/h1-4,8H
InChIKeyXCDLWJLEWZERLS-UHFFFAOYSA-N
XLogP1.63
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.57
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 153008841
CID 153008841
1-(2-chloro-1,1,2,2-tetrafluoroethoxy)-4-nitrobenzene
CID 12030755
chloromethane;(4-nitrophenyl) formate
CID 143083318
1-(2,2-dichloroethenoxy)-4-nitrobenzene
CID 172715409
chloro-(4-nitrophenoxy)phosphinic acid
CID 54199741
chloro bis(4-nitrophenyl) phosphate
CID 141011401
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
1-chloroethanol;1-methoxy-4-nitrobenzene
CID 145362894
(4-nitrophenyl) hydrogen phosphate;silver
CID 173436602
N-methyl-1-(4-nitrophenoxy)methanamine
CID 58708535
(4-nitrophenyl) phosphate
CID 4686862

Frequently Asked Questions

What is the IUPAC name of 1-(chloroamino)oxy-4-nitrobenzene?
The IUPAC name of 1-(chloroamino)oxy-4-nitrobenzene (CID 143366644) is 1-(chloroamino)oxy-4-nitrobenzene.
What is the SMILES notation for 1-(chloroamino)oxy-4-nitrobenzene?
The canonical SMILES for 1-(chloroamino)oxy-4-nitrobenzene is O=[N+]([O-])c1ccc(ONCl)cc1.
What is the InChIKey of 1-(chloroamino)oxy-4-nitrobenzene?
The InChIKey is XCDLWJLEWZERLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O3/c7-8-12-6-3-1-5(2-4-6)9(10)11/h1-4,8H.
What are the key properties of 1-(chloroamino)oxy-4-nitrobenzene?
1-(chloroamino)oxy-4-nitrobenzene has a molecular weight of 188.57 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloroamino)oxy-4-nitrobenzene is sourced from PubChem (CID 143366644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).