2,4-dibromo-3-chloro-1,5-dinitrobenzene

C6HBr2ClN2O4 — CID 175294119

IUPAC2,4-dibromo-3-chloro-1,5-dinitrobenzene
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Br)c(Cl)c1Br
InChIInChI=1S/C6HBr2ClN2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H
InChIKeyHGTKMBGBVGPXOR-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.68
Rot. Bonds2

About 2,4-dibromo-3-chloro-1,5-dinitrobenzene

2,4-dibromo-3-chloro-1,5-dinitrobenzene (PubChem CID 175294119) has the molecular formula C6HBr2ClN2O4 and a molecular weight of 360.35 g/mol. Its IUPAC name is 2,4-dibromo-3-chloro-1,5-dinitrobenzene.

Molecular Properties

Compound Name2,4-dibromo-3-chloro-1,5-dinitrobenzene
PubChem CID175294119
Molecular FormulaC6HBr2ClN2O4
Molecular Weight360.35 g/mol
Exact Mass357.80
IUPAC Name2,4-dibromo-3-chloro-1,5-dinitrobenzene
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(Br)c(Cl)c1Br
InChIInChI=1S/C6HBr2ClN2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H
InChIKeyHGTKMBGBVGPXOR-UHFFFAOYSA-N
XLogP3.68
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.68
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

2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
2,4-dichloro-3-methyl-1,5-dinitrobenzene
CID 619578
2-bromo-1,3,4,5-tetranitrobenzene
CID 13213783
2-bromo-4,6-dinitrobenzene-1,3-diol
CID 18958398
2,4-dichloro-3-fluoro-1,5-dinitrobenzene
CID 86775443
1-bromo-2,4,5-trinitrobenzene
CID 13333986
4-bromo-3,5-dinitrobenzaldehyde
CID 91286899
1,5-dibromo-2-chloro-4-nitrobenzene
CID 154213219
1-bromo-4-chloro-2-nitrobenzene
CID 2794904
4-chloro-1,2,3-trimethyl-5-nitrobenzene
CID 162041077
2,6-dichloro-3,5-dinitrobenzonitrile
CID 154236492
1-bromo-2-chloro-3-nitrobenzene
CID 22736053

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-3-chloro-1,5-dinitrobenzene?
The IUPAC name of 2,4-dibromo-3-chloro-1,5-dinitrobenzene (CID 175294119) is 2,4-dibromo-3-chloro-1,5-dinitrobenzene.
What is the SMILES notation for 2,4-dibromo-3-chloro-1,5-dinitrobenzene?
The canonical SMILES for 2,4-dibromo-3-chloro-1,5-dinitrobenzene is O=[N+]([O-])c1cc([N+](=O)[O-])c(Br)c(Cl)c1Br.
What is the InChIKey of 2,4-dibromo-3-chloro-1,5-dinitrobenzene?
The InChIKey is HGTKMBGBVGPXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr2ClN2O4/c7-4-2(10(12)13)1-3(11(14)15)5(8)6(4)9/h1H.
What are the key properties of 2,4-dibromo-3-chloro-1,5-dinitrobenzene?
2,4-dibromo-3-chloro-1,5-dinitrobenzene has a molecular weight of 360.35 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-3-chloro-1,5-dinitrobenzene is sourced from PubChem (CID 175294119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).