3-chloropropa-1,2-dienylbenzene

C9H7Cl — CID 12937100

IUPAC3-chloropropa-1,2-dienylbenzene
SMILESClC=C=Cc1ccccc1
InChIInChI=1S/C9H7Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-8H
InChIKeySUBZCHKYGYHWKO-UHFFFAOYSA-N
MW150.61 g/mol
LogP3.05
Rot. Bonds1

About 3-chloropropa-1,2-dienylbenzene

3-chloropropa-1,2-dienylbenzene (PubChem CID 12937100) has the molecular formula C9H7Cl and a molecular weight of 150.61 g/mol. Its IUPAC name is 3-chloropropa-1,2-dienylbenzene.

Molecular Properties

Compound Name3-chloropropa-1,2-dienylbenzene
PubChem CID12937100
Molecular FormulaC9H7Cl
Molecular Weight150.61 g/mol
Exact Mass150.02
IUPAC Name3-chloropropa-1,2-dienylbenzene
SMILESClC=C=Cc1ccccc1
InChIInChI=1S/C9H7Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-8H
InChIKeySUBZCHKYGYHWKO-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.61
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloropropa-1,2-dienylbenzene?
The IUPAC name of 3-chloropropa-1,2-dienylbenzene (CID 12937100) is 3-chloropropa-1,2-dienylbenzene.
What is the SMILES notation for 3-chloropropa-1,2-dienylbenzene?
The canonical SMILES for 3-chloropropa-1,2-dienylbenzene is ClC=C=Cc1ccccc1.
What is the InChIKey of 3-chloropropa-1,2-dienylbenzene?
The InChIKey is SUBZCHKYGYHWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-8H.
What are the key properties of 3-chloropropa-1,2-dienylbenzene?
3-chloropropa-1,2-dienylbenzene has a molecular weight of 150.61 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 3-chloropropa-1,2-dienylbenzene is sourced from PubChem (CID 12937100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).