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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

CAS 2224-77-3
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 Weight 243.69 g/mol
Molecular Formula C14H10ClNO
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass243.0450916 g/mol
Monoisotopic Mass243.0450916 g/mol
Topological Polar Surface Area29.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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