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Also known as: 1181267-33-3, Methyl 2-[4-(2-chloroethyl)phenyl]-2-methylpropanoate, Schembl21629639, Bs-46795, Db-101213, Cs-0104347
Molecular Formula
C13H17ClO2
Molecular Weight
240.72  g/mol
InChI Key
VZPVSMUUBFOTAV-UHFFFAOYSA-N

CAS 1181267-33-3
1 2D Structure

CAS 1181267-33-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-[4-(2-chloroethyl)phenyl]-2-methylpropanoate
2.1.2 InChI
InChI=1S/C13H17ClO2/c1-13(2,12(15)16-3)11-6-4-10(5-7-11)8-9-14/h4-7H,8-9H2,1-3H3
2.1.3 InChI Key
VZPVSMUUBFOTAV-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)(C1=CC=C(C=C1)CCCl)C(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1181267-33-3

2. Methyl 2-[4-(2-chloroethyl)phenyl]-2-methylpropanoate

3. Schembl21629639

4. Bs-46795

5. Db-101213

6. Cs-0104347

7. E74528

8. A929623

9. 2-[4-(2-chloro-ethyl)-phenyl]-2-methyl-propionic Acid Methylester

2.3 Create Date
2015-01-12
3 Chemical and Physical Properties
Molecular Weight 240.72 g/mol
Molecular Formula C13H17ClO2
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass240.0917075 g/mol
Monoisotopic Mass240.0917075 g/mol
Topological Polar Surface Area26.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Virtual BoothTagoor's product development expertise, backed by our comprehensive understanding of the processes, helps us offer high-quality APIs.

Methyl 2-(4-(2-chloroethyl)phenyl)-2-methylpropano...

CAS Number : 1181267-33-3

End Use API :

About the Company : Tagoor Laboratories, established in 2018, is a part of the Tagoor Group. It specializes in providing APIs, advanced intermediates and key starting materials for critical and high-growth...

Tagoor Laboratories

02

SCI Medicinal Chemistry
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Aventus Labs

India
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Methyl 2-(4-(2-Chloroethyl)phenyl)-2-methylpropano...

CAS Number : 1181267-33-3

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About the Company : Aventus Labs is a forward-thinking pharmaceutical company committed to developing and delivering high-quality, effective healthcare solutions. With a focus on rigorous research and adhe...

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Methyl 2-(4-(2-chloroethyl) phenyl)-2-methylpropan...

CAS Number : 1181267-33-3

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About the Company : Ceyone Life Sciences specializes in providing research-oriented chemistry services and manufacturing niche chemicals, intermediates, and APIs. The company is focused on offering compreh...

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Methyl-2-(4-(2-Chloroethylphenyl)-2-Me Propanoate ...

CAS Number : 1181267-33-3

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About the Company : Corey Organics is focused in developing and manufacturing of Active Pharmaceutical Ingredients (APIs), registered Pharma Intermediates, Fine Chemicals and Pyridine Derivatives for cater...

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Ocimum Labs

India
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2-[4-(2-chloro-ethyl)-phenyl]-2-methyl-propionic a...

CAS Number : 1181267-33-3

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About the Company : Ocimum Labs was founded in 2018 and started its R&D activities with a cutting-edge facility. The Hyderabad-based firm focuses on process research and development, with a particular emph...

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Methyl-2-(4-(2-chloroethyl)phenyl-2-methylpropanoa...

CAS Number : 1181267-33-3

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About the Company : **Shobha Life Sciences** is a Hyderabad-based preclinical contract research organization offering stability, pharmacokinetic, pharmacodynamic, toxicological, and efficacy studies, along...

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