1-(2-bromoethenyl)-2,4-dinitrobenzene

C8H5BrN2O4 — CID 73297332

IUPAC1-(2-bromoethenyl)-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(C=CBr)c([N+](=O)[O-])c1
InChIInChI=1S/C8H5BrN2O4/c9-4-3-6-1-2-7(10(12)13)5-8(6)11(14)15/h1-5H
InChIKeyLQZLEBYCPGQHBQ-UHFFFAOYSA-N
MW273.04 g/mol
LogP2.87
Rot. Bonds3

About 1-(2-bromoethenyl)-2,4-dinitrobenzene

1-(2-bromoethenyl)-2,4-dinitrobenzene (PubChem CID 73297332) has the molecular formula C8H5BrN2O4 and a molecular weight of 273.04 g/mol. Its IUPAC name is 1-(2-bromoethenyl)-2,4-dinitrobenzene.

Molecular Properties

Compound Name1-(2-bromoethenyl)-2,4-dinitrobenzene
PubChem CID73297332
Molecular FormulaC8H5BrN2O4
Molecular Weight273.04 g/mol
Exact Mass271.94
IUPAC Name1-(2-bromoethenyl)-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(C=CBr)c([N+](=O)[O-])c1
InChIInChI=1S/C8H5BrN2O4/c9-4-3-6-1-2-7(10(12)13)5-8(6)11(14)15/h1-5H
InChIKeyLQZLEBYCPGQHBQ-UHFFFAOYSA-N
XLogP2.87
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.04
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,4-dinitrobenzene
CID 6106908
2,6-dichloro-4-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenolate
CID 122232545
2-[2-(2,4-dinitrophenyl)ethenyl]anthracene-9,10-dione
CID 2749492
4-[(Z)-2-(2,4-dinitrophenyl)ethenyl]-N,N-dimethylaniline
CID 92907800
4-chloro-2-[(E)-2-(2,4-dinitrophenyl)ethenyl]phenol
CID 6083825
1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
2-[(2,4-dinitrophenyl)methylideneamino]phenol
CID 102417808
1-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2,3-dimethoxybenzene
CID 6263432
N-[(E)-(2,4-dinitrophenyl)methylideneamino]-N-phenylaniline
CID 139085698
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
(2E)-2-[(2,4-dinitrophenyl)methylidene]-1H-pyridine
CID 101222114
2-[(2,4-dinitrophenyl)methylidene]-1,3-diethylimidazole
CID 154388068

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethenyl)-2,4-dinitrobenzene?
The IUPAC name of 1-(2-bromoethenyl)-2,4-dinitrobenzene (CID 73297332) is 1-(2-bromoethenyl)-2,4-dinitrobenzene.
What is the SMILES notation for 1-(2-bromoethenyl)-2,4-dinitrobenzene?
The canonical SMILES for 1-(2-bromoethenyl)-2,4-dinitrobenzene is O=[N+]([O-])c1ccc(C=CBr)c([N+](=O)[O-])c1.
What is the InChIKey of 1-(2-bromoethenyl)-2,4-dinitrobenzene?
The InChIKey is LQZLEBYCPGQHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O4/c9-4-3-6-1-2-7(10(12)13)5-8(6)11(14)15/h1-5H.
What are the key properties of 1-(2-bromoethenyl)-2,4-dinitrobenzene?
1-(2-bromoethenyl)-2,4-dinitrobenzene has a molecular weight of 273.04 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethenyl)-2,4-dinitrobenzene is sourced from PubChem (CID 73297332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).