1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene

C10H9Br3 — CID 169094377

IUPAC1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene
SMILESBrC/C=C(\CBr)c1ccc(Br)cc1
InChIInChI=1S/C10H9Br3/c11-6-5-9(7-12)8-1-3-10(13)4-2-8/h1-5H,6-7H2/b9-5+
InChIKeyWUNWNFWPBJCUSD-WEVVVXLNSA-N
MW368.89 g/mol
LogP4.62
Rot. Bonds3

About 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene

1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene (PubChem CID 169094377) has the molecular formula C10H9Br3 and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene
PubChem CID169094377
Molecular FormulaC10H9Br3
Molecular Weight368.89 g/mol
Exact Mass365.83
IUPAC Name1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene
SMILESBrC/C=C(\CBr)c1ccc(Br)cc1
InChIInChI=1S/C10H9Br3/c11-6-5-9(7-12)8-1-3-10(13)4-2-8/h1-5H,6-7H2/b9-5+
InChIKeyWUNWNFWPBJCUSD-WEVVVXLNSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene?
The IUPAC name of 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene (CID 169094377) is 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene is BrC/C=C(\CBr)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene?
The InChIKey is WUNWNFWPBJCUSD-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H9Br3/c11-6-5-9(7-12)8-1-3-10(13)4-2-8/h1-5H,6-7H2/b9-5+.
What are the key properties of 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene?
1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene has a molecular weight of 368.89 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-1,4-dibromobut-2-en-2-yl]benzene is sourced from PubChem (CID 169094377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).