[chloro(nitroso)methyl]benzene

C7H6ClNO — CID 54497222

IUPAC[chloro(nitroso)methyl]benzene
SMILESO=NC(Cl)c1ccccc1
InChIInChI=1S/C7H6ClNO/c8-7(9-10)6-4-2-1-3-5-6/h1-5,7H
InChIKeyXZYJIIJQFVAISE-UHFFFAOYSA-N
MW155.58 g/mol
LogP2.69
Rot. Bonds2

About [chloro(nitroso)methyl]benzene

[chloro(nitroso)methyl]benzene (PubChem CID 54497222) has the molecular formula C7H6ClNO and a molecular weight of 155.58 g/mol. Its IUPAC name is [chloro(nitroso)methyl]benzene.

Molecular Properties

Compound Name[chloro(nitroso)methyl]benzene
PubChem CID54497222
Molecular FormulaC7H6ClNO
Molecular Weight155.58 g/mol
Exact Mass155.01
IUPAC Name[chloro(nitroso)methyl]benzene
SMILESO=NC(Cl)c1ccccc1
InChIInChI=1S/C7H6ClNO/c8-7(9-10)6-4-2-1-3-5-6/h1-5,7H
InChIKeyXZYJIIJQFVAISE-UHFFFAOYSA-N
XLogP2.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.58
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [chloro(nitroso)methyl]benzene?
The IUPAC name of [chloro(nitroso)methyl]benzene (CID 54497222) is [chloro(nitroso)methyl]benzene.
What is the SMILES notation for [chloro(nitroso)methyl]benzene?
The canonical SMILES for [chloro(nitroso)methyl]benzene is O=NC(Cl)c1ccccc1.
What is the InChIKey of [chloro(nitroso)methyl]benzene?
The InChIKey is XZYJIIJQFVAISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO/c8-7(9-10)6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of [chloro(nitroso)methyl]benzene?
[chloro(nitroso)methyl]benzene has a molecular weight of 155.58 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(nitroso)methyl]benzene is sourced from PubChem (CID 54497222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).