1-bromo-2-ethenylbenzene

C8H7Br — CID 16264

IUPAC1-bromo-2-ethenylbenzene
SMILESC=Cc1ccccc1Br
InChIInChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKeySSZOCHFYWWVSAI-UHFFFAOYSA-N
MW183.05 g/mol
LogP3.09
Rot. Bonds1

About 1-bromo-2-ethenylbenzene

1-bromo-2-ethenylbenzene (PubChem CID 16264) has the molecular formula C8H7Br and a molecular weight of 183.05 g/mol. Its IUPAC name is 1-bromo-2-ethenylbenzene.

Molecular Properties

Compound Name1-bromo-2-ethenylbenzene
PubChem CID16264
Molecular FormulaC8H7Br
Molecular Weight183.05 g/mol
Exact Mass181.97
IUPAC Name1-bromo-2-ethenylbenzene
SMILESC=Cc1ccccc1Br
InChIInChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChIKeySSZOCHFYWWVSAI-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.05
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-Bromotoluene
CID 7236
4-Bromotoluene
CID 7805
3-Bromotoluene
CID 11560
Phenethyl bromide
CID 7666
Benzyl Bromide
CID 7498
2,2'-Dibromobiphenyl
CID 83060
4-Bromobenzyl bromide
CID 68527
beta-Bromostyrene
CID 7667
(1,2-Dibromoethyl)benzene
CID 7145
(1-Bromoethyl)benzene
CID 11454
2-Bromobiphenyl
CID 16329
1-Bromo-4-ethylbenzene
CID 15313

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethenylbenzene?
The IUPAC name of 1-bromo-2-ethenylbenzene (CID 16264) is 1-bromo-2-ethenylbenzene.
What is the SMILES notation for 1-bromo-2-ethenylbenzene?
The canonical SMILES for 1-bromo-2-ethenylbenzene is C=Cc1ccccc1Br.
What is the InChIKey of 1-bromo-2-ethenylbenzene?
The InChIKey is SSZOCHFYWWVSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2.
What are the key properties of 1-bromo-2-ethenylbenzene?
1-bromo-2-ethenylbenzene has a molecular weight of 183.05 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethenylbenzene is sourced from PubChem (CID 16264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).