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 Formula	C₇H₃Cl₃O
Molecular Weight	209.5 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	207.924948 g/mol
Monoisotopic Mass	207.924948 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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