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CAS 2224-77-3

CAS 2224-77-3

Chemistry, 1 End Use API, 3 Related Intermediates

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CAS 2224-77-3

Also known as: 2224-77-3, 3-(4-chlorophenyl)-1-isoindolinone, 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one, 3-(4-chlorophenyl)isoindolin-1-one, Schembl1444438, 1h-isoindol-1-one, 3-(4-chlorophenyl)-2,3-dihydro-

Molecular Formula

C₁₄H₁₀ClNO

Molecular Weight

243.69 g/mol

InChI Key

OMUHBVDRMKRVLW-UHFFFAOYSA-N

1 2D Structure

CAS 2224-77-3

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one

2.1.2 InChI

InChI=1S/C14H10ClNO/c15-10-7-5-9(6-8-10)13-11-3-1-2-4-12(11)14(17)16-13/h1-8,13H,(H,16,17)

2.1.3 InChI Key

OMUHBVDRMKRVLW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C2C(=C1)C(NC2=O)C3=CC=C(C=C3)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2224-77-3

2. 3-(4-chlorophenyl)-1-isoindolinone

3. 3-(4-chlorophenyl)-2,3-dihydroisoindol-1-one

4. 3-(4-chlorophenyl)isoindolin-1-one

5. Schembl1444438

6. 1h-isoindol-1-one, 3-(4-chlorophenyl)-2,3-dihydro-

7. Caa22477

8. Mfcd00023017

9. 3-(4-chlorophenyl)isoindoline-1-one

10. Akos024324023

11. Sb66000

12. 3-(4-chlorophenyl)-1-isoindolinone-d4

13. F17324

2.3 Create Date

2005-09-18

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₀ClNO
Molecular Weight	243.69 g/mol
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	243.0450916 g/mol
Monoisotopic Mass	243.0450916 g/mol
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	299
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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Digital Content

3-(4-chlorophenyl)isoindolin-1-one

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CAS Number

2224-77-3

End Use API

Chlorthalidone

About the Company

CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing ...

CTX is one of the youngest and fastest-growing Indian API and Intermediate manufacturing companies doing business in over 70 countries. In these five years, all my thoughts and actions have been to enhance the life of my organization by serving the pharmaceutical industry with complete dedication. CTX is accredited with US FDA, EU GMP, PMDA Japan and COFEPRIS Mexico cGMP. The ultimate business strategy of CTX Life Sciences is “ to be a partner in the global pharmaceutical and chemical industries and continue to be a reliable and consistent supplier of APIs and Intermediates.

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