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Also known as: 56961-75-2, Benzaldehyde, 2,3,5-trichloro-, Schembl189844, Dtxsid3069146, Djyrztclvdkwbl-uhfffaoysa-, Zinc2539407
Molecular Formula
C7H3Cl3O
Molecular Weight
209.5  g/mol
InChI Key
DJYRZTCLVDKWBL-UHFFFAOYSA-N

CAS 56961-75-2
1 2D Structure

CAS 56961-75-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2,3,5-trichlorobenzaldehyde
2.1.2 InChI
InChI=1S/C7H3Cl3O/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
2.1.3 InChI Key
DJYRZTCLVDKWBL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=C(C=C(C(=C1C=O)Cl)Cl)Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 56961-75-2

2. Benzaldehyde, 2,3,5-trichloro-

3. Schembl189844

4. Dtxsid3069146

5. Djyrztclvdkwbl-uhfffaoysa-

6. Zinc2539407

7. 2,3,5-trichlorobenzaldehyde, 98%

8. Cl8240

9. Mfcd00010860

10. Akos005254300

11. Cs-w021478

12. Ds-2628

13. Ac-25650

14. Db-019675

15. Ft-0609445

16. T1182

17. 3,3-bis(4-chlorophenyl)pyrrolidine-2,5-dione

18. 961t752

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 209.5 g/mol
Molecular Formula C7H3Cl3O
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass207.924948 g/mol
Monoisotopic Mass207.924948 g/mol
Topological Polar Surface Area17.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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