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2D Structure
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

2D Structure

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