CAS 3840-17-3|1-chloro-3-(prop-2-en-1-yl)benzene|3-(3-Chlorophenyl)prop-1-ene|1-Chloro-3-(prop-2-en-1-yl)benzene|1-chloro-3-(prop-2-en-1-yl)benzene|1-Allyl-3-chlorobenzene|3-Allylchlorobenzene

General Information

Structure

Molecular Formula

C₉H₉Cl

Molecular Mass

152.62076

Exact Mass

152.03927797

Charge

InChI

InChI=1S/C9H9Cl/c1-2-4-8-5-3-6-9(10)7-8/h2-3,5-7H,1,4H2

InChIKey

UYLHDGQKBPNWQI-UHFFFAOYSA-N

Canonic Smiles

C=CCc1cccc(c1)Cl

Isomeric Smiles

Clc1cccc(c1)CC=C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6758611

LogD (pH = 7.4)

3.6758611

Log P

3.6758611

Molar Refractivity

45.1501

Polarizability

17.480673

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

3-(3-Chlorophenyl)prop-1-ene1-Allyl-3-chlorobenzene1-Chloro-3-(prop-2-en-1-yl)benzene3-Allylchlorobenzene

IUPAC name

1-chloro-3-(prop-2-en-1-yl)benzene

IUPAC Traditional name

1-chloro-3-(prop-2-en-1-yl)benzene

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

MDL Number

CAS Number

Registration numbers

Properties

Safety Information

Storage Warning

Harmful/Irritant

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

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General Information

Calculated Properties

• RDKit

• JChem

Data Source

• Commercial Catalog

• Academic Data

Names and Identifiers

• Synonyms

• IUPAC name

• IUPAC Traditional name

Registration numbers

• PubChem CID

• PubChem SID

• MDL Number

• CAS Number

• Safety Information

• PubChem Literature

• From Data Sources

Bioactivity

• PubChem BioAssay

Molecule

ID:73772