2-chloroethenylbenzene

C8H7Cl — CID 12142

IUPAC2-chloroethenylbenzene
SMILESClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChIKeySBYMUDUGTIKLCR-UHFFFAOYSA-N
MW138.60 g/mol
LogP2.90
Rot. Bonds1

About 2-chloroethenylbenzene

2-chloroethenylbenzene (PubChem CID 12142) has the molecular formula C8H7Cl and a molecular weight of 138.60 g/mol. Its IUPAC name is 2-chloroethenylbenzene.

Molecular Properties

Compound Name2-chloroethenylbenzene
PubChem CID12142
Molecular FormulaC8H7Cl
Molecular Weight138.60 g/mol
Exact Mass138.02
IUPAC Name2-chloroethenylbenzene
SMILESClC=Cc1ccccc1
InChIInChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H
InChIKeySBYMUDUGTIKLCR-UHFFFAOYSA-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 2-chloroethenylbenzene?
The IUPAC name of 2-chloroethenylbenzene (CID 12142) is 2-chloroethenylbenzene.
What is the SMILES notation for 2-chloroethenylbenzene?
The canonical SMILES for 2-chloroethenylbenzene is ClC=Cc1ccccc1.
What is the InChIKey of 2-chloroethenylbenzene?
The InChIKey is SBYMUDUGTIKLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl/c9-7-6-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-chloroethenylbenzene?
2-chloroethenylbenzene 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 2-chloroethenylbenzene is sourced from PubChem (CID 12142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).