5-chloro-2-nitroso-N-phenylaniline

C12H9ClN2O — CID 121009978

IUPAC5-chloro-2-nitroso-N-phenylaniline
SMILESO=Nc1ccc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C12H9ClN2O/c13-9-6-7-11(15-16)12(8-9)14-10-4-2-1-3-5-10/h1-8,14H
InChIKeyRHQWWGAVBYRXDH-UHFFFAOYSA-N
MW232.67 g/mol
LogP4.48
Rot. Bonds3

About 5-chloro-2-nitroso-N-phenylaniline

5-chloro-2-nitroso-N-phenylaniline (PubChem CID 121009978) has the molecular formula C12H9ClN2O and a molecular weight of 232.67 g/mol. Its IUPAC name is 5-chloro-2-nitroso-N-phenylaniline.

Molecular Properties

Compound Name5-chloro-2-nitroso-N-phenylaniline
PubChem CID121009978
Molecular FormulaC12H9ClN2O
Molecular Weight232.67 g/mol
Exact Mass232.04
IUPAC Name5-chloro-2-nitroso-N-phenylaniline
SMILESO=Nc1ccc(Cl)cc1Nc1ccccc1
InChIInChI=1S/C12H9ClN2O/c13-9-6-7-11(15-16)12(8-9)14-10-4-2-1-3-5-10/h1-8,14H
InChIKeyRHQWWGAVBYRXDH-UHFFFAOYSA-N
XLogP4.48
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-nitroso-N-phenylaniline?
The IUPAC name of 5-chloro-2-nitroso-N-phenylaniline (CID 121009978) is 5-chloro-2-nitroso-N-phenylaniline.
What is the SMILES notation for 5-chloro-2-nitroso-N-phenylaniline?
The canonical SMILES for 5-chloro-2-nitroso-N-phenylaniline is O=Nc1ccc(Cl)cc1Nc1ccccc1.
What is the InChIKey of 5-chloro-2-nitroso-N-phenylaniline?
The InChIKey is RHQWWGAVBYRXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O/c13-9-6-7-11(15-16)12(8-9)14-10-4-2-1-3-5-10/h1-8,14H.
What are the key properties of 5-chloro-2-nitroso-N-phenylaniline?
5-chloro-2-nitroso-N-phenylaniline has a molecular weight of 232.67 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-nitroso-N-phenylaniline is sourced from PubChem (CID 121009978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).