1-bromo-2-(1,2-dibromoethenyl)benzene

C8H5Br3 — CID 135084466

IUPAC1-bromo-2-(1,2-dibromoethenyl)benzene
SMILESBrC=C(Br)c1ccccc1Br
InChIInChI=1S/C8H5Br3/c9-5-8(11)6-3-1-2-4-7(6)10/h1-5H
InChIKeyVHGJOOWEHQALKN-UHFFFAOYSA-N
MW340.84 g/mol
LogP4.54
Rot. Bonds1

About 1-bromo-2-(1,2-dibromoethenyl)benzene

1-bromo-2-(1,2-dibromoethenyl)benzene (PubChem CID 135084466) has the molecular formula C8H5Br3 and a molecular weight of 340.84 g/mol. Its IUPAC name is 1-bromo-2-(1,2-dibromoethenyl)benzene.

Molecular Properties

Compound Name1-bromo-2-(1,2-dibromoethenyl)benzene
PubChem CID135084466
Molecular FormulaC8H5Br3
Molecular Weight340.84 g/mol
Exact Mass337.79
IUPAC Name1-bromo-2-(1,2-dibromoethenyl)benzene
SMILESBrC=C(Br)c1ccccc1Br
InChIInChI=1S/C8H5Br3/c9-5-8(11)6-3-1-2-4-7(6)10/h1-5H
InChIKeyVHGJOOWEHQALKN-UHFFFAOYSA-N
XLogP4.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-2-(1-bromoethenyl)benzene
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3,3-dibromo-2-(2-bromophenyl)prop-2-enenitrile
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1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
CID 162354712
S-(2-bromobenzoyl)sulfanyl 2-bromobenzenecarbothioate
CID 10071435
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CID 121220826

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(1,2-dibromoethenyl)benzene?
The IUPAC name of 1-bromo-2-(1,2-dibromoethenyl)benzene (CID 135084466) is 1-bromo-2-(1,2-dibromoethenyl)benzene.
What is the SMILES notation for 1-bromo-2-(1,2-dibromoethenyl)benzene?
The canonical SMILES for 1-bromo-2-(1,2-dibromoethenyl)benzene is BrC=C(Br)c1ccccc1Br.
What is the InChIKey of 1-bromo-2-(1,2-dibromoethenyl)benzene?
The InChIKey is VHGJOOWEHQALKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3/c9-5-8(11)6-3-1-2-4-7(6)10/h1-5H.
What are the key properties of 1-bromo-2-(1,2-dibromoethenyl)benzene?
1-bromo-2-(1,2-dibromoethenyl)benzene has a molecular weight of 340.84 g/mol, XLogP of 4.54, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(1,2-dibromoethenyl)benzene is sourced from PubChem (CID 135084466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).