1-bromo-4-[(Z)-2-nitroethenyl]benzene

C8H6BrNO2 — CID 92523898

IUPAC1-bromo-4-[(Z)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C\c1ccc(Br)cc1
InChIInChI=1S/C8H6BrNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5-
InChIKeyLSGVHLGCJIBLMB-WAYWQWQTSA-N
MW228.05 g/mol
LogP2.70
Rot. Bonds2

About 1-bromo-4-[(Z)-2-nitroethenyl]benzene

1-bromo-4-[(Z)-2-nitroethenyl]benzene (PubChem CID 92523898) has the molecular formula C8H6BrNO2 and a molecular weight of 228.05 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-2-nitroethenyl]benzene
PubChem CID92523898
Molecular FormulaC8H6BrNO2
Molecular Weight228.05 g/mol
Exact Mass226.96
IUPAC Name1-bromo-4-[(Z)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C\c1ccc(Br)cc1
InChIInChI=1S/C8H6BrNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5-
InChIKeyLSGVHLGCJIBLMB-WAYWQWQTSA-N
XLogP2.70
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.05
LogP ≤ 52.70
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

Beta-Nitrostyrene
CID 7626
beta-nitrostyrene, (E)-
CID 5284459
beta-Bromo-beta-nitrostyrene
CID 23555
trans-4-Bromo-beta-nitrostyrene
CID 688204
trans-2-Bromo-beta-nitrostyrene
CID 5383480
(E)-1-Bromo-4-(2-nitroprop-1-en-1-yl)benzene
CID 12363725
[(Z)-2-nitroethenyl]benzene
CID 5462567
Trans-3-bromo-beta-nitrostyrene
CID 5952498
Bromonitrostyrene, (Z)-
CID 6508331
2-Bromo-4-fluoro-1-((E)-2-nitrovinyl)benzene
CID 44118300
2-Bromo-1-fluoro-4-(2-nitroethenyl)benzene
CID 61614622
Bromonitrostyrene, (E)-
CID 6433494

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-2-nitroethenyl]benzene?
The IUPAC name of 1-bromo-4-[(Z)-2-nitroethenyl]benzene (CID 92523898) is 1-bromo-4-[(Z)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-2-nitroethenyl]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-2-nitroethenyl]benzene is O=[N+]([O-])/C=C\c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(Z)-2-nitroethenyl]benzene?
The InChIKey is LSGVHLGCJIBLMB-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H6BrNO2/c9-8-3-1-7(2-4-8)5-6-10(11)12/h1-6H/b6-5-.
What are the key properties of 1-bromo-4-[(Z)-2-nitroethenyl]benzene?
1-bromo-4-[(Z)-2-nitroethenyl]benzene has a molecular weight of 228.05 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-2-nitroethenyl]benzene is sourced from PubChem (CID 92523898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).