1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene

C9H7BrCl2 — CID 54321123

IUPAC1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(C=CCBr)c1
InChIInChI=1S/C9H7BrCl2/c10-3-1-2-7-4-8(11)6-9(12)5-7/h1-2,4-6H,3H2
InChIKeySRSXOZWDONOCFD-UHFFFAOYSA-N
MW265.97 g/mol
LogP4.40
Rot. Bonds2

About 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene

1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene (PubChem CID 54321123) has the molecular formula C9H7BrCl2 and a molecular weight of 265.97 g/mol. Its IUPAC name is 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene.

Molecular Properties

Compound Name1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
PubChem CID54321123
Molecular FormulaC9H7BrCl2
Molecular Weight265.97 g/mol
Exact Mass263.91
IUPAC Name1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene
SMILESClc1cc(Cl)cc(C=CCBr)c1
InChIInChI=1S/C9H7BrCl2/c10-3-1-2-7-4-8(11)6-9(12)5-7/h1-2,4-6H,3H2
InChIKeySRSXOZWDONOCFD-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.97
LogP ≤ 54.40
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-(3-bromoprop-1-enyl)-3,5-dichlorobenzene?
The IUPAC name of 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene (CID 54321123) is 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene.
What is the SMILES notation for 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene?
The canonical SMILES for 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene is Clc1cc(Cl)cc(C=CCBr)c1.
What is the InChIKey of 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene?
The InChIKey is SRSXOZWDONOCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrCl2/c10-3-1-2-7-4-8(11)6-9(12)5-7/h1-2,4-6H,3H2.
What are the key properties of 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene?
1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene has a molecular weight of 265.97 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromoprop-1-enyl)-3,5-dichlorobenzene is sourced from PubChem (CID 54321123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).