3-chloro-N-methoxy-4-nitrosoaniline

C7H7ClN2O2 — CID 171384565

IUPAC3-chloro-N-methoxy-4-nitrosoaniline
SMILESCONc1ccc(N=O)c(Cl)c1
InChIInChI=1S/C7H7ClN2O2/c1-12-10-5-2-3-7(9-11)6(8)4-5/h2-4,10H,1H3
InChIKeyOTHZKVUNCLLMIK-UHFFFAOYSA-N
MW186.60 g/mol
LogP2.71
Rot. Bonds3

About 3-chloro-N-methoxy-4-nitrosoaniline

3-chloro-N-methoxy-4-nitrosoaniline (PubChem CID 171384565) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 3-chloro-N-methoxy-4-nitrosoaniline.

Molecular Properties

Compound Name3-chloro-N-methoxy-4-nitrosoaniline
PubChem CID171384565
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name3-chloro-N-methoxy-4-nitrosoaniline
SMILESCONc1ccc(N=O)c(Cl)c1
InChIInChI=1S/C7H7ClN2O2/c1-12-10-5-2-3-7(9-11)6(8)4-5/h2-4,10H,1H3
InChIKeyOTHZKVUNCLLMIK-UHFFFAOYSA-N
XLogP2.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methoxy-4-nitrosoaniline?
The IUPAC name of 3-chloro-N-methoxy-4-nitrosoaniline (CID 171384565) is 3-chloro-N-methoxy-4-nitrosoaniline.
What is the SMILES notation for 3-chloro-N-methoxy-4-nitrosoaniline?
The canonical SMILES for 3-chloro-N-methoxy-4-nitrosoaniline is CONc1ccc(N=O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-methoxy-4-nitrosoaniline?
The InChIKey is OTHZKVUNCLLMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-12-10-5-2-3-7(9-11)6(8)4-5/h2-4,10H,1H3.
What are the key properties of 3-chloro-N-methoxy-4-nitrosoaniline?
3-chloro-N-methoxy-4-nitrosoaniline has a molecular weight of 186.60 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methoxy-4-nitrosoaniline is sourced from PubChem (CID 171384565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).