[(E)-2-chloroethenyl]benzene

C8H7Cl — CID 5284490

IUPAC[(E)-2-chloroethenyl]benzene
SMILESCl/C=C/c1ccccc1
InChIInChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeySBYMUDUGTIKLCR-VOTSOKGWSA-N
MW138.60 g/mol
LogP2.90
Rot. Bonds1

About [(E)-2-chloroethenyl]benzene

[(E)-2-chloroethenyl]benzene (PubChem CID 5284490) has the molecular formula C8H7Cl and a molecular weight of 138.60 g/mol. Its IUPAC name is [(E)-2-chloroethenyl]benzene.

Molecular Properties

Compound Name[(E)-2-chloroethenyl]benzene
PubChem CID5284490
Molecular FormulaC8H7Cl
Molecular Weight138.60 g/mol
Exact Mass138.02
IUPAC Name[(E)-2-chloroethenyl]benzene
SMILESCl/C=C/c1ccccc1
InChIInChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+
InChIKeySBYMUDUGTIKLCR-VOTSOKGWSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.60
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-2-chloroethenyl]benzene?
The IUPAC name of [(E)-2-chloroethenyl]benzene (CID 5284490) is [(E)-2-chloroethenyl]benzene.
What is the SMILES notation for [(E)-2-chloroethenyl]benzene?
The canonical SMILES for [(E)-2-chloroethenyl]benzene is Cl/C=C/c1ccccc1.
What is the InChIKey of [(E)-2-chloroethenyl]benzene?
The InChIKey is SBYMUDUGTIKLCR-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+.
What are the key properties of [(E)-2-chloroethenyl]benzene?
[(E)-2-chloroethenyl]benzene has a molecular weight of 138.60 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-chloroethenyl]benzene is sourced from PubChem (CID 5284490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).