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CAS 134071-44-6

CAS 134071-44-6

Chemistry, 2 End Use API, 13 Related Intermediates

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CAS 134071-44-6

Also known as: 134071-44-6, Cis-[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl p-tolylsulfonate, [2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate, Schembl6315121, Ft-0666611, 2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate

Molecular Formula

C₂₁H₂₀Cl₂N₂O₅S

Molecular Weight

483.4 g/mol

InChI Key

WAXNIYHZFWRPGS-UHFFFAOYSA-N

1 2D Structure

CAS 134071-44-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

2.1.2 InChI

InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3

2.1.3 InChI Key

WAXNIYHZFWRPGS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 134071-44-6

2. Cis-[2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl P-tolylsulfonate

3. [2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

4. Schembl6315121

5. Ft-0666611

6. 2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolane-4-methanol 4-methylbenzenesulfonate

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₁H₂₀Cl₂N₂O₅S
Molecular Weight	483.4 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	482.0469983 g/mol
Monoisotopic Mass	482.0469983 g/mol
Topological Polar Surface Area	88 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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Digital Content

2,4-Dichloroacetophenone

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CAS Number

2234-16-4

End Use API

Ketoconazole

About the Company

Yufeng International Co.,Ltd has a wide range of products to serve the worldwide chemical partners. Since...

Yufeng International Co.,Ltd has a wide range of products to serve the worldwide chemical partners. Since our first production facility built in 1975, we have grown into a group company with three factories in China and four sales offices in different countries today. Our production covers Pharmaceuticals, Agro chemicals, Petrochemicals, Water treatment chemicals, fine chemicals etc. With our result-oriented R&D team, we are capable to manufacture of high-value specialty products either based on our own end products or develop customized product for our clients.

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