(4-diazenylphenyl) carbonochloridate

C7H5ClN2O2 — CID 89333043

IUPAC(4-diazenylphenyl) carbonochloridate
SMILES[H]/N=N/c1ccc(OC(=O)Cl)cc1
InChIInChI=1S/C7H5ClN2O2/c8-7(11)12-6-3-1-5(10-9)2-4-6/h1-4,9H/b10-9+
InChIKeySTSHZXIFOXCYFM-MDZDMXLPSA-N
MW184.58 g/mol
LogP3.09
Rot. Bonds2

About (4-diazenylphenyl) carbonochloridate

(4-diazenylphenyl) carbonochloridate (PubChem CID 89333043) has the molecular formula C7H5ClN2O2 and a molecular weight of 184.58 g/mol. Its IUPAC name is (4-diazenylphenyl) carbonochloridate.

Molecular Properties

Compound Name(4-diazenylphenyl) carbonochloridate
PubChem CID89333043
Molecular FormulaC7H5ClN2O2
Molecular Weight184.58 g/mol
Exact Mass184.00
IUPAC Name(4-diazenylphenyl) carbonochloridate
SMILES[H]/N=N/c1ccc(OC(=O)Cl)cc1
InChIInChI=1S/C7H5ClN2O2/c8-7(11)12-6-3-1-5(10-9)2-4-6/h1-4,9H/b10-9+
InChIKeySTSHZXIFOXCYFM-MDZDMXLPSA-N
XLogP3.09
TPSA62.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

(4-nitrosophenyl) carbonochloridate
CID 87075345
ethane;(4-methylphenyl) carbonochloridate;uranium
CID 176941938
[4-(hydroperoxyamino)phenyl] carbonochloridate
CID 59118034
(6-carbonochloridoyloxynaphthalen-2-yl) carbonochloridate
CID 23213740
iron;phenyl carbonochloridate
CID 159914445
(4-carbamoylphenyl) carbonochloridate
CID 119084646
4-diazenyl-N-(4-methoxyphenyl)aniline
CID 5103664
methanamine;phenyl carbonochloridate
CID 91260916
[4-(2-oxopropyl)phenyl] carbonochloridate
CID 115496228
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
(4-carbonochloridoyloxyphenyl)-ethyl-oxoazanium
CID 91246042

Frequently Asked Questions

What is the IUPAC name of (4-diazenylphenyl) carbonochloridate?
The IUPAC name of (4-diazenylphenyl) carbonochloridate (CID 89333043) is (4-diazenylphenyl) carbonochloridate.
What is the SMILES notation for (4-diazenylphenyl) carbonochloridate?
The canonical SMILES for (4-diazenylphenyl) carbonochloridate is [H]/N=N/c1ccc(OC(=O)Cl)cc1.
What is the InChIKey of (4-diazenylphenyl) carbonochloridate?
The InChIKey is STSHZXIFOXCYFM-MDZDMXLPSA-N. The full InChI is InChI=1S/C7H5ClN2O2/c8-7(11)12-6-3-1-5(10-9)2-4-6/h1-4,9H/b10-9+.
What are the key properties of (4-diazenylphenyl) carbonochloridate?
(4-diazenylphenyl) carbonochloridate has a molecular weight of 184.58 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diazenylphenyl) carbonochloridate is sourced from PubChem (CID 89333043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).