zinc;1-diazo-4-nitro-2H-naphthalene;dichloride

C10H7Cl2N3O2Zn — CID 159681963

IUPACzinc;1-diazo-4-nitro-2H-naphthalene;dichloride
SMILES[Cl-].[Cl-].[N-]=[N+]=C1CC=C([N+](=O)[O-])c2ccccc21.[Zn+2]
InChIInChI=1S/C10H7N3O2.2ClH.Zn/c11-12-9-5-6-10(13(14)15)8-4-2-1-3-7(8)9;;;/h1-4,6H,5H2;2*1H;/q;;;+2/p-2
InChIKeyMVHYITRBRRTPRL-UHFFFAOYSA-L
MW337.48 g/mol
LogP-4.27
Rot. Bonds1

About zinc;1-diazo-4-nitro-2H-naphthalene;dichloride

zinc;1-diazo-4-nitro-2H-naphthalene;dichloride (PubChem CID 159681963) has the molecular formula C10H7Cl2N3O2Zn and a molecular weight of 337.48 g/mol. Its IUPAC name is zinc;1-diazo-4-nitro-2H-naphthalene;dichloride.

Molecular Properties

Compound Namezinc;1-diazo-4-nitro-2H-naphthalene;dichloride
PubChem CID159681963
Molecular FormulaC10H7Cl2N3O2Zn
Molecular Weight337.48 g/mol
Exact Mass334.92
IUPAC Namezinc;1-diazo-4-nitro-2H-naphthalene;dichloride
SMILES[Cl-].[Cl-].[N-]=[N+]=C1CC=C([N+](=O)[O-])c2ccccc21.[Zn+2]
InChIInChI=1S/C10H7N3O2.2ClH.Zn/c11-12-9-5-6-10(13(14)15)8-4-2-1-3-7(8)9;;;/h1-4,6H,5H2;2*1H;/q;;;+2/p-2
InChIKeyMVHYITRBRRTPRL-UHFFFAOYSA-L
XLogP-4.27
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.48
LogP ≤ 5-4.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of zinc;1-diazo-4-nitro-2H-naphthalene;dichloride?
The IUPAC name of zinc;1-diazo-4-nitro-2H-naphthalene;dichloride (CID 159681963) is zinc;1-diazo-4-nitro-2H-naphthalene;dichloride.
What is the SMILES notation for zinc;1-diazo-4-nitro-2H-naphthalene;dichloride?
The canonical SMILES for zinc;1-diazo-4-nitro-2H-naphthalene;dichloride is [Cl-].[Cl-].[N-]=[N+]=C1CC=C([N+](=O)[O-])c2ccccc21.[Zn+2].
What is the InChIKey of zinc;1-diazo-4-nitro-2H-naphthalene;dichloride?
The InChIKey is MVHYITRBRRTPRL-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H7N3O2.2ClH.Zn/c11-12-9-5-6-10(13(14)15)8-4-2-1-3-7(8)9;;;/h1-4,6H,5H2;2*1H;/q;;;+2/p-2.
What are the key properties of zinc;1-diazo-4-nitro-2H-naphthalene;dichloride?
zinc;1-diazo-4-nitro-2H-naphthalene;dichloride has a molecular weight of 337.48 g/mol, XLogP of -4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;1-diazo-4-nitro-2H-naphthalene;dichloride is sourced from PubChem (CID 159681963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).