4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene

C12H6Cl3NO2 — CID 19878908

IUPAC4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Cl)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16(17)18/h1-6H
InChIKeyYGWHUUIGYCRXOK-UHFFFAOYSA-N
MW302.54 g/mol
LogP5.22
Rot. Bonds2

About 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene

4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene (PubChem CID 19878908) has the molecular formula C12H6Cl3NO2 and a molecular weight of 302.54 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene.

Molecular Properties

Compound Name4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
PubChem CID19878908
Molecular FormulaC12H6Cl3NO2
Molecular Weight302.54 g/mol
Exact Mass300.95
IUPAC Name4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
SMILESO=[N+]([O-])c1ccc(Cl)cc1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H6Cl3NO2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16(17)18/h1-6H
InChIKeyYGWHUUIGYCRXOK-UHFFFAOYSA-N
XLogP5.22
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.54
LogP ≤ 55.22
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

2-(5-chloro-2-nitrophenyl)benzaldehyde
CID 3014581
CID 58762875
CID 58762875
3-(5-chloro-2-nitrophenyl)fluoranthene
CID 134301029
4-chloro-1-(2-chlorophenyl)-2-nitrobenzene
CID 175258433
2-(2,5-dichlorophenyl)-5-methyl-3-nitropyridine
CID 118819253
1-chloro-4-fluoro-2-(2-nitrophenyl)benzene
CID 142744710
4-(5-chloro-2-nitrophenyl)-1,2-oxazole-3-carboxylic acid
CID 150693049
1-chloro-2,3-bis(2,4-dichlorophenoxy)-4-nitrobenzene
CID 12569011
4-chloro-2-isocyano-1-nitrobenzene
CID 59763197
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
4-chloro-2-nitroaniline
CID 6979
CID 58697900
CID 58697900

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene?
The IUPAC name of 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene (CID 19878908) is 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene.
What is the SMILES notation for 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene?
The canonical SMILES for 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene is O=[N+]([O-])c1ccc(Cl)cc1-c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene?
The InChIKey is YGWHUUIGYCRXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3NO2/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16(17)18/h1-6H.
What are the key properties of 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene?
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene has a molecular weight of 302.54 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene is sourced from PubChem (CID 19878908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).