(4-nitrosophenyl) carbonochloridate

C7H4ClNO3 — CID 87075345

IUPAC(4-nitrosophenyl) carbonochloridate
SMILESO=Nc1ccc(OC(=O)Cl)cc1
InChIInChI=1S/C7H4ClNO3/c8-7(10)12-6-3-1-5(9-11)2-4-6/h1-4H
InChIKeyGEGPABSGZQVUSF-UHFFFAOYSA-N
MW185.57 g/mol
LogP2.82
Rot. Bonds2

About (4-nitrosophenyl) carbonochloridate

(4-nitrosophenyl) carbonochloridate (PubChem CID 87075345) has the molecular formula C7H4ClNO3 and a molecular weight of 185.57 g/mol. Its IUPAC name is (4-nitrosophenyl) carbonochloridate.

Molecular Properties

Compound Name(4-nitrosophenyl) carbonochloridate
PubChem CID87075345
Molecular FormulaC7H4ClNO3
Molecular Weight185.57 g/mol
Exact Mass184.99
IUPAC Name(4-nitrosophenyl) carbonochloridate
SMILESO=Nc1ccc(OC(=O)Cl)cc1
InChIInChI=1S/C7H4ClNO3/c8-7(10)12-6-3-1-5(9-11)2-4-6/h1-4H
InChIKeyGEGPABSGZQVUSF-UHFFFAOYSA-N
XLogP2.82
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.57
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-nitrosophenyl) carbonochloridate?
The IUPAC name of (4-nitrosophenyl) carbonochloridate (CID 87075345) is (4-nitrosophenyl) carbonochloridate.
What is the SMILES notation for (4-nitrosophenyl) carbonochloridate?
The canonical SMILES for (4-nitrosophenyl) carbonochloridate is O=Nc1ccc(OC(=O)Cl)cc1.
What is the InChIKey of (4-nitrosophenyl) carbonochloridate?
The InChIKey is GEGPABSGZQVUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO3/c8-7(10)12-6-3-1-5(9-11)2-4-6/h1-4H.
What are the key properties of (4-nitrosophenyl) carbonochloridate?
(4-nitrosophenyl) carbonochloridate has a molecular weight of 185.57 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrosophenyl) carbonochloridate is sourced from PubChem (CID 87075345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).