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Technical details about CAS 56961-75-2, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. 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

1 2D Structure

2D Structure

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
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