1,2-dichloro-4-nitronaphthalene

C10H5Cl2NO2 — CID 154116604

IUPAC1,2-dichloro-4-nitronaphthalene
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)c2ccccc12
InChIInChI=1S/C10H5Cl2NO2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H
InChIKeyJSBUSBWLCVCNJD-UHFFFAOYSA-N
MW242.06 g/mol
LogP4.05
Rot. Bonds1

About 1,2-dichloro-4-nitronaphthalene

1,2-dichloro-4-nitronaphthalene (PubChem CID 154116604) has the molecular formula C10H5Cl2NO2 and a molecular weight of 242.06 g/mol. Its IUPAC name is 1,2-dichloro-4-nitronaphthalene.

Molecular Properties

Compound Name1,2-dichloro-4-nitronaphthalene
PubChem CID154116604
Molecular FormulaC10H5Cl2NO2
Molecular Weight242.06 g/mol
Exact Mass240.97
IUPAC Name1,2-dichloro-4-nitronaphthalene
SMILESO=[N+]([O-])c1cc(Cl)c(Cl)c2ccccc12
InChIInChI=1S/C10H5Cl2NO2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H
InChIKeyJSBUSBWLCVCNJD-UHFFFAOYSA-N
XLogP4.05
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.06
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-(2-methylphenoxy)-4-nitronaphthalene
CID 156716095
2,4-dinitronaphthalene-1-thiol
CID 163754778
9-chloro-10-nitroanthracene
CID 44718980
4-nitronaphthalene-1,2-diol
CID 54339442
5,6-dichloro-2-methyl-8-nitroquinoline
CID 138490128
3,4-dichloro-8-nitroquinoline
CID 19592722
chrysene;6-nitrochrysene
CID 161186476
N-(4-chlorophenyl)-2,4-dinitronaphthalen-1-amine
CID 2849337
methane;6-nitrochrysene
CID 87770303
N,N-dimethyl-2,4-dinitronaphthalen-1-amine
CID 71346683
1-bromo-2-methyl-4-nitronaphthalene
CID 121218286
1,2-dimethoxy-4-nitronaphthalene
CID 12579212

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-nitronaphthalene?
The IUPAC name of 1,2-dichloro-4-nitronaphthalene (CID 154116604) is 1,2-dichloro-4-nitronaphthalene.
What is the SMILES notation for 1,2-dichloro-4-nitronaphthalene?
The canonical SMILES for 1,2-dichloro-4-nitronaphthalene is O=[N+]([O-])c1cc(Cl)c(Cl)c2ccccc12.
What is the InChIKey of 1,2-dichloro-4-nitronaphthalene?
The InChIKey is JSBUSBWLCVCNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO2/c11-8-5-9(13(14)15)6-3-1-2-4-7(6)10(8)12/h1-5H.
What are the key properties of 1,2-dichloro-4-nitronaphthalene?
1,2-dichloro-4-nitronaphthalene has a molecular weight of 242.06 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-nitronaphthalene is sourced from PubChem (CID 154116604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).