formyl chloride;1-methoxy-4-nitrosobenzene

C8H8ClNO3 — CID 178153567

IUPACformyl chloride;1-methoxy-4-nitrosobenzene
SMILESCOc1ccc(N=O)cc1.O=CCl
InChIInChI=1S/C7H7NO2.CHClO/c1-10-7-4-2-6(8-9)3-5-7;2-1-3/h2-5H,1H3;1H
InChIKeyJWHLPHFXLYMEKO-UHFFFAOYSA-N
MW201.61 g/mol
LogP2.51
Rot. Bonds2

About formyl chloride;1-methoxy-4-nitrosobenzene

formyl chloride;1-methoxy-4-nitrosobenzene (PubChem CID 178153567) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is formyl chloride;1-methoxy-4-nitrosobenzene.

Molecular Properties

Compound Nameformyl chloride;1-methoxy-4-nitrosobenzene
PubChem CID178153567
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Nameformyl chloride;1-methoxy-4-nitrosobenzene
SMILESCOc1ccc(N=O)cc1.O=CCl
InChIInChI=1S/C7H7NO2.CHClO/c1-10-7-4-2-6(8-9)3-5-7;2-1-3/h2-5H,1H3;1H
InChIKeyJWHLPHFXLYMEKO-UHFFFAOYSA-N
XLogP2.51
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formyl chloride;1-methoxy-4-nitrosobenzene?
The IUPAC name of formyl chloride;1-methoxy-4-nitrosobenzene (CID 178153567) is formyl chloride;1-methoxy-4-nitrosobenzene.
What is the SMILES notation for formyl chloride;1-methoxy-4-nitrosobenzene?
The canonical SMILES for formyl chloride;1-methoxy-4-nitrosobenzene is COc1ccc(N=O)cc1.O=CCl.
What is the InChIKey of formyl chloride;1-methoxy-4-nitrosobenzene?
The InChIKey is JWHLPHFXLYMEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.CHClO/c1-10-7-4-2-6(8-9)3-5-7;2-1-3/h2-5H,1H3;1H.
What are the key properties of formyl chloride;1-methoxy-4-nitrosobenzene?
formyl chloride;1-methoxy-4-nitrosobenzene has a molecular weight of 201.61 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formyl chloride;1-methoxy-4-nitrosobenzene is sourced from PubChem (CID 178153567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).