2,3,4-trichloro-1,5-dinitrobenzene

C6HCl3N2O4 — CID 22875

IUPAC2,3,4-trichloro-1,5-dinitrobenzene
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl3N2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H
InChIKeyWUMOEIUPWHYXBM-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.46
Rot. Bonds2

About 2,3,4-trichloro-1,5-dinitrobenzene

2,3,4-trichloro-1,5-dinitrobenzene (PubChem CID 22875) has the molecular formula C6HCl3N2O4 and a molecular weight of 271.44 g/mol. Its IUPAC name is 2,3,4-trichloro-1,5-dinitrobenzene.

Molecular Properties

Compound Name2,3,4-trichloro-1,5-dinitrobenzene
PubChem CID22875
Molecular FormulaC6HCl3N2O4
Molecular Weight271.44 g/mol
Exact Mass269.90
IUPAC Name2,3,4-trichloro-1,5-dinitrobenzene
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl
InChIInChI=1S/C6HCl3N2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H
InChIKeyWUMOEIUPWHYXBM-UHFFFAOYSA-N
XLogP3.46
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
(2,3,4-trichloro-5-nitrophenyl)boronic acid
CID 46738897
2,4-dibromo-3-chloro-1,5-dinitrobenzene
CID 175294119
2,6-dichloro-3,5-dinitrobenzonitrile
CID 154236492
benzene;2-chloro-1,3,5-trinitrobenzene
CID 160949015
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077
2-chloro-5-methylsulfanyl-1,3-dinitrobenzene
CID 21442507
3,4-dichloro-5-nitroaniline
CID 121228417
4-chloro-3,5-dinitrobenzoyl chloride
CID 23451564
2,3-dichloro-4,6-dinitropyridine
CID 71429452
1-chloro-7-methyl-2,4-dinitronaphthalene
CID 165356913

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trichloro-1,5-dinitrobenzene?
The IUPAC name of 2,3,4-trichloro-1,5-dinitrobenzene (CID 22875) is 2,3,4-trichloro-1,5-dinitrobenzene.
What is the SMILES notation for 2,3,4-trichloro-1,5-dinitrobenzene?
The canonical SMILES for 2,3,4-trichloro-1,5-dinitrobenzene is O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,3,4-trichloro-1,5-dinitrobenzene?
The InChIKey is WUMOEIUPWHYXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3N2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H.
What are the key properties of 2,3,4-trichloro-1,5-dinitrobenzene?
2,3,4-trichloro-1,5-dinitrobenzene has a molecular weight of 271.44 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trichloro-1,5-dinitrobenzene is sourced from PubChem (CID 22875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).