4-chloro-1-(2-chlorophenyl)-2-nitrobenzene

C12H7Cl2NO2 — CID 175258433

IUPAC4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1ccccc1Cl
InChIInChI=1S/C12H7Cl2NO2/c13-8-5-6-10(12(7-8)15(16)17)9-3-1-2-4-11(9)14/h1-7H
InChIKeyYUKXZGODHKCRPE-UHFFFAOYSA-N
MW268.10 g/mol
LogP4.57
Rot. Bonds2

About 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene

4-chloro-1-(2-chlorophenyl)-2-nitrobenzene (PubChem CID 175258433) has the molecular formula C12H7Cl2NO2 and a molecular weight of 268.10 g/mol. Its IUPAC name is 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene.

Molecular Properties

Compound Name4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
PubChem CID175258433
Molecular FormulaC12H7Cl2NO2
Molecular Weight268.10 g/mol
Exact Mass266.99
IUPAC Name4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(Cl)ccc1-c1ccccc1Cl
InChIInChI=1S/C12H7Cl2NO2/c13-8-5-6-10(12(7-8)15(16)17)9-3-1-2-4-11(9)14/h1-7H
InChIKeyYUKXZGODHKCRPE-UHFFFAOYSA-N
XLogP4.57
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 54.57
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

4-bromo-1-(2-chlorophenyl)-2-nitrobenzene
CID 147124448
4-chloro-2-nitro-1-(4-phenylphenyl)benzene
CID 153490333
2-bromo-4-chloro-1-(2-nitrophenyl)benzene
CID 162775338
4-chloro-1-(3,5-diphenylphenyl)-2-nitrobenzene
CID 121437434
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
2-(4-chloro-2-nitrophenyl)-1,3-dimethoxybenzene
CID 56650404
3-(4-chloro-2-nitrophenyl)pyridine
CID 76852317
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
3-(5-chloro-2-nitrophenyl)fluoranthene
CID 134301029
CID 58697900
CID 58697900
1-bromo-4-chloro-2-nitrobenzene
CID 2794904

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene?
The IUPAC name of 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene (CID 175258433) is 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene.
What is the SMILES notation for 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene?
The canonical SMILES for 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene is O=[N+]([O-])c1cc(Cl)ccc1-c1ccccc1Cl.
What is the InChIKey of 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene?
The InChIKey is YUKXZGODHKCRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2NO2/c13-8-5-6-10(12(7-8)15(16)17)9-3-1-2-4-11(9)14/h1-7H.
What are the key properties of 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene?
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene has a molecular weight of 268.10 g/mol, XLogP of 4.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-chlorophenyl)-2-nitrobenzene is sourced from PubChem (CID 175258433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).