1-bromo-3-(2,2-dichloroethenyl)benzene

C8H5BrCl2 — CID 5324894

IUPAC1-bromo-3-(2,2-dichloroethenyl)benzene
SMILESClC(Cl)=Cc1cccc(Br)c1
InChIInChI=1S/C8H5BrCl2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-5H
InChIKeyAEDVEWISCOUNBQ-UHFFFAOYSA-N
MW251.94 g/mol
LogP4.23
Rot. Bonds1

About 1-bromo-3-(2,2-dichloroethenyl)benzene

1-bromo-3-(2,2-dichloroethenyl)benzene (PubChem CID 5324894) has the molecular formula C8H5BrCl2 and a molecular weight of 251.94 g/mol. Its IUPAC name is 1-bromo-3-(2,2-dichloroethenyl)benzene.

Molecular Properties

Compound Name1-bromo-3-(2,2-dichloroethenyl)benzene
PubChem CID5324894
Molecular FormulaC8H5BrCl2
Molecular Weight251.94 g/mol
Exact Mass249.90
IUPAC Name1-bromo-3-(2,2-dichloroethenyl)benzene
SMILESClC(Cl)=Cc1cccc(Br)c1
InChIInChI=1S/C8H5BrCl2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-5H
InChIKeyAEDVEWISCOUNBQ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.94
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2,2-dichloroethenyl)benzene?
The IUPAC name of 1-bromo-3-(2,2-dichloroethenyl)benzene (CID 5324894) is 1-bromo-3-(2,2-dichloroethenyl)benzene.
What is the SMILES notation for 1-bromo-3-(2,2-dichloroethenyl)benzene?
The canonical SMILES for 1-bromo-3-(2,2-dichloroethenyl)benzene is ClC(Cl)=Cc1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-(2,2-dichloroethenyl)benzene?
The InChIKey is AEDVEWISCOUNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-5H.
What are the key properties of 1-bromo-3-(2,2-dichloroethenyl)benzene?
1-bromo-3-(2,2-dichloroethenyl)benzene has a molecular weight of 251.94 g/mol, XLogP of 4.23, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2,2-dichloroethenyl)benzene is sourced from PubChem (CID 5324894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).