2-bromoethenylbenzene

C8H7Br — CID 7667

IUPAC2-bromoethenylbenzene
SMILESBrC=Cc1ccccc1
InChIInChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyYMOONIIMQBGTDU-UHFFFAOYSA-N
MW183.05 g/mol
LogP3.05
Rot. Bonds1

About 2-bromoethenylbenzene

2-bromoethenylbenzene (PubChem CID 7667) has the molecular formula C8H7Br and a molecular weight of 183.05 g/mol. Its IUPAC name is 2-bromoethenylbenzene.

Molecular Properties

Compound Name2-bromoethenylbenzene
PubChem CID7667
Molecular FormulaC8H7Br
Molecular Weight183.05 g/mol
Exact Mass181.97
IUPAC Name2-bromoethenylbenzene
SMILESBrC=Cc1ccccc1
InChIInChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyYMOONIIMQBGTDU-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromoethenylbenzene?
The IUPAC name of 2-bromoethenylbenzene (CID 7667) is 2-bromoethenylbenzene.
What is the SMILES notation for 2-bromoethenylbenzene?
The canonical SMILES for 2-bromoethenylbenzene is BrC=Cc1ccccc1.
What is the InChIKey of 2-bromoethenylbenzene?
The InChIKey is YMOONIIMQBGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-bromoethenylbenzene?
2-bromoethenylbenzene has a molecular weight of 183.05 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromoethenylbenzene is sourced from PubChem (CID 7667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).