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CAS 53984-39-7

CAS 53984-39-7

Chemistry, 1 End Use API, 2 Related Intermediates

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CAS 53984-39-7

Also known as: 53984-39-7, [2-chloro-1-(2,4-dichlorophenyl)ethyl] methanesulfonate, Schembl17831390, Dtxsid801163431, C15949, 2-chloro-1-(2,4-dichlorophenyl)ethylmethanesulfonate

Molecular Formula

C₉H₉Cl₃O₃S

Molecular Weight

303.6 g/mol

InChI Key

RLMONYZNSJOXOH-UHFFFAOYSA-N

1 2D Structure

CAS 53984-39-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-chloro-1-(2,4-dichlorophenyl)ethyl] methanesulfonate

2.1.2 InChI

InChI=1S/C9H9Cl3O3S/c1-16(13,14)15-9(5-10)7-3-2-6(11)4-8(7)12/h2-4,9H,5H2,1H3

2.1.3 InChI Key

RLMONYZNSJOXOH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)OC(CCl)C1=C(C=C(C=C1)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 53984-39-7

2. [2-chloro-1-(2,4-dichlorophenyl)ethyl] Methanesulfonate

3. Schembl17831390

4. Dtxsid801163431

5. C15949

6. 2-chloro-1-(2,4-dichlorophenyl)ethylmethanesulfonate

7. Benzenemethanol, 2,4-dichloro-alpha-(chloromethyl)-, 1-methanesulfonate

2.3 Create Date

2016-08-06

3 Chemical and Physical Properties

Molecular Formula	C₉H₉Cl₃O₃S
Molecular Weight	303.6 g/mol
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	301.933798 g/mol
Monoisotopic Mass	301.933798 g/mol
Topological Polar Surface Area	51.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	315
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Kimia Biosciences

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India

Digital Content

(1R), 2-chloro-1-(2,4-dichlorophenyl)ethan-1-ol

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URL Supplier Web Content

CAS Number

114446-57-0

End Use API

Luliconazole

About the Company

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic se...

Kimia Biosciences, established in 1993, is focused on manufacturing bulk drugs for various therapeutic segments. With a strong emphasis on excellence and advanced technologies, Kimia aims to become a globally recognized company in both APIs and FDFs while upholding clean business practices. Kimia's state-of-the-art facilities at Village Bhondsi, Gurugram enable it to produce a wide range of APIs. Kimia also plans to establish its own facilities for lifestyle segments, adhering to international regulatory standards. Kimia aims to provide the best pharmaceutical products and support to consumers and healthcare professionals.

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