chloro-(2-nitrophenyl)diazene

C6H4ClN3O2 — CID 13403227

IUPACchloro-(2-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccccc1/N=N/Cl
InChIInChI=1S/C6H4ClN3O2/c7-9-8-5-3-1-2-4-6(5)10(11)12/h1-4H/b9-8+
InChIKeyZDSYQBWQSWLNBL-CMDGGOBGSA-N
MW185.57 g/mol
LogP2.83
Rot. Bonds2

About chloro-(2-nitrophenyl)diazene

chloro-(2-nitrophenyl)diazene (PubChem CID 13403227) has the molecular formula C6H4ClN3O2 and a molecular weight of 185.57 g/mol. Its IUPAC name is chloro-(2-nitrophenyl)diazene.

Molecular Properties

Compound Namechloro-(2-nitrophenyl)diazene
PubChem CID13403227
Molecular FormulaC6H4ClN3O2
Molecular Weight185.57 g/mol
Exact Mass185.00
IUPAC Namechloro-(2-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccccc1/N=N/Cl
InChIInChI=1S/C6H4ClN3O2/c7-9-8-5-3-1-2-4-6(5)10(11)12/h1-4H/b9-8+
InChIKeyZDSYQBWQSWLNBL-CMDGGOBGSA-N
XLogP2.83
TPSA67.86 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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-nitrophenyl)-(2-nitropropan-2-yl)diazene
CID 15025181
(2-nitrophenyl)-phenyldiazene;phenol
CID 20526289
2-[(2-nitrophenyl)diazenyl]benzene-1,3,5-triol
CID 135986053
4-[(2-nitrophenyl)diazenyl]naphthalen-1-ol
CID 3525274
azanide;1,2-dinitrobenzene;platinum
CID 158959684
(Z)-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enal
CID 135996780
2-[(2-nitrophenyl)diazenyl]naphthalene-1,4-diol
CID 135503618
4-[(2-nitrophenyl)diazenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 141481736
[3,5-bis(2-phenylpropan-2-yl)phenyl]-(2-nitrophenyl)diazene
CID 141047377
6-hydroxy-5-[(2-nitrophenyl)diazenyl]-1H-pyrimidine-2,4-dione
CID 2754543
(Z)-3-cyano-3-hydroxy-2-[(2-nitrophenyl)diazenyl]prop-2-enoyl cyanide
CID 138392055
(2-methyl-1H-indol-3-yl)-(2-nitrophenyl)diazene
CID 135645807

Frequently Asked Questions

What is the IUPAC name of chloro-(2-nitrophenyl)diazene?
The IUPAC name of chloro-(2-nitrophenyl)diazene (CID 13403227) is chloro-(2-nitrophenyl)diazene.
What is the SMILES notation for chloro-(2-nitrophenyl)diazene?
The canonical SMILES for chloro-(2-nitrophenyl)diazene is O=[N+]([O-])c1ccccc1/N=N/Cl.
What is the InChIKey of chloro-(2-nitrophenyl)diazene?
The InChIKey is ZDSYQBWQSWLNBL-CMDGGOBGSA-N. The full InChI is InChI=1S/C6H4ClN3O2/c7-9-8-5-3-1-2-4-6(5)10(11)12/h1-4H/b9-8+.
What are the key properties of chloro-(2-nitrophenyl)diazene?
chloro-(2-nitrophenyl)diazene has a molecular weight of 185.57 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-nitrophenyl)diazene is sourced from PubChem (CID 13403227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).