[(E)-2-bromoethenyl]benzene

C8H7Br — CID 5314126

IUPAC[(E)-2-bromoethenyl]benzene
SMILESBr/C=C/c1ccccc1
InChIInChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyYMOONIIMQBGTDU-VOTSOKGWSA-N
MW183.05 g/mol
LogP3.05
Rot. Bonds1

About [(E)-2-bromoethenyl]benzene

[(E)-2-bromoethenyl]benzene (PubChem CID 5314126) has the molecular formula C8H7Br and a molecular weight of 183.05 g/mol. Its IUPAC name is [(E)-2-bromoethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-bromoethenyl]benzene
PubChem CID5314126
Molecular FormulaC8H7Br
Molecular Weight183.05 g/mol
Exact Mass181.97
IUPAC Name[(E)-2-bromoethenyl]benzene
SMILESBr/C=C/c1ccccc1
InChIInChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeyYMOONIIMQBGTDU-VOTSOKGWSA-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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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161
Pentylbenzene
CID 10864
Propylbenzene
CID 7668
Isobutylbenzene
CID 10870
trans-Stilbene
CID 638088

Frequently Asked Questions

What is the IUPAC name of [(E)-2-bromoethenyl]benzene?
The IUPAC name of [(E)-2-bromoethenyl]benzene (CID 5314126) is [(E)-2-bromoethenyl]benzene.
What is the SMILES notation for [(E)-2-bromoethenyl]benzene?
The canonical SMILES for [(E)-2-bromoethenyl]benzene is Br/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-bromoethenyl]benzene?
The InChIKey is YMOONIIMQBGTDU-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of [(E)-2-bromoethenyl]benzene?
[(E)-2-bromoethenyl]benzene 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 [(E)-2-bromoethenyl]benzene is sourced from PubChem (CID 5314126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).