2-chloro-1,3,4-tris(ethenyl)benzene

C12H11Cl — CID 21434290

IUPAC2-chloro-1,3,4-tris(ethenyl)benzene
SMILESC=Cc1ccc(C=C)c(C=C)c1Cl
InChIInChI=1S/C12H11Cl/c1-4-9-7-8-10(5-2)12(13)11(9)6-3/h4-8H,1-3H2
InChIKeyIVZYEHMJJDFFSI-UHFFFAOYSA-N
MW190.67 g/mol
LogP4.27
Rot. Bonds3

About 2-chloro-1,3,4-tris(ethenyl)benzene

2-chloro-1,3,4-tris(ethenyl)benzene (PubChem CID 21434290) has the molecular formula C12H11Cl and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-chloro-1,3,4-tris(ethenyl)benzene.

Molecular Properties

Compound Name2-chloro-1,3,4-tris(ethenyl)benzene
PubChem CID21434290
Molecular FormulaC12H11Cl
Molecular Weight190.67 g/mol
Exact Mass190.05
IUPAC Name2-chloro-1,3,4-tris(ethenyl)benzene
SMILESC=Cc1ccc(C=C)c(C=C)c1Cl
InChIInChI=1S/C12H11Cl/c1-4-9-7-8-10(5-2)12(13)11(9)6-3/h4-8H,1-3H2
InChIKeyIVZYEHMJJDFFSI-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3,4-tris(ethenyl)benzene?
The IUPAC name of 2-chloro-1,3,4-tris(ethenyl)benzene (CID 21434290) is 2-chloro-1,3,4-tris(ethenyl)benzene.
What is the SMILES notation for 2-chloro-1,3,4-tris(ethenyl)benzene?
The canonical SMILES for 2-chloro-1,3,4-tris(ethenyl)benzene is C=Cc1ccc(C=C)c(C=C)c1Cl.
What is the InChIKey of 2-chloro-1,3,4-tris(ethenyl)benzene?
The InChIKey is IVZYEHMJJDFFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl/c1-4-9-7-8-10(5-2)12(13)11(9)6-3/h4-8H,1-3H2.
What are the key properties of 2-chloro-1,3,4-tris(ethenyl)benzene?
2-chloro-1,3,4-tris(ethenyl)benzene has a molecular weight of 190.67 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3,4-tris(ethenyl)benzene is sourced from PubChem (CID 21434290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).