1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene

C12H5Cl4NO2 — CID 134630362

IUPAC1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C12H5Cl4NO2/c13-6-3-10(15)12(11(16)4-6)8-5-7(17(18)19)1-2-9(8)14/h1-5H
InChIKeyHVJHFWAPLGXUDS-UHFFFAOYSA-N
MW336.99 g/mol
LogP5.88
Rot. Bonds2

About 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene

1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene (PubChem CID 134630362) has the molecular formula C12H5Cl4NO2 and a molecular weight of 336.99 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
PubChem CID134630362
Molecular FormulaC12H5Cl4NO2
Molecular Weight336.99 g/mol
Exact Mass334.91
IUPAC Name1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene
SMILESO=[N+]([O-])c1ccc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C12H5Cl4NO2/c13-6-3-10(15)12(11(16)4-6)8-5-7(17(18)19)1-2-9(8)14/h1-5H
InChIKeyHVJHFWAPLGXUDS-UHFFFAOYSA-N
XLogP5.88
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.99
LogP ≤ 55.88
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'}

Analyze 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3,5-trichloro-2-[5-nitro-2-(trifluoromethyl)phenyl]benzene
CID 134630364
2-(2-chloro-5-nitrophenyl)furan
CID 15318128
2-chloro-1-(2-chloro-5-nitrophenyl)-3-nitrobenzene
CID 171785769
2-(2,4-dichlorophenyl)-1-[2-(2,4-dichlorophenyl)-4-nitrophenoxy]-4-nitrobenzene
CID 21417787
3-chloro-4-(2-chloro-5-nitrophenyl)-2-(2,4-dichlorophenyl)-1-(2,3-difluorophenyl)-5-fluorobenzene
CID 140989930
1-chloro-2-(4-methylphenyl)-4-nitrobenzene;formamide
CID 144972005
2-(2-chloro-5-nitrophenyl)-1,3,4-oxadiazole
CID 71563519
1-chloro-2-methyl-4-nitrobenzene;sulfane
CID 162192887
1,2-dichloro-4-nitrobenzene;1,2,3-trichloro-5-nitrobenzene
CID 155677930
bis[3-(2-chloro-5-nitrophenyl)thiophen-2-yl]methanone
CID 88595016
2-(2-chloro-5-nitrophenyl)-5-methylpyridine
CID 66878225
1,2,4-trichloro-5-(2-chloro-4-nitrophenyl)benzene
CID 134628529

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene?
The IUPAC name of 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene (CID 134630362) is 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene.
What is the SMILES notation for 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene?
The canonical SMILES for 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene is O=[N+]([O-])c1ccc(Cl)c(-c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene?
The InChIKey is HVJHFWAPLGXUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl4NO2/c13-6-3-10(15)12(11(16)4-6)8-5-7(17(18)19)1-2-9(8)14/h1-5H.
What are the key properties of 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene?
1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene has a molecular weight of 336.99 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-(2-chloro-5-nitrophenyl)benzene is sourced from PubChem (CID 134630362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).