CAS 86393-34-2

1 2D Structure

CAS 86393-34-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,4-dichloro-5-fluorobenzoyl chloride

2.1.2 InChI

InChI=1S/C7H2Cl3FO/c8-4-2-5(9)6(11)1-3(4)7(10)12/h1-2H

2.1.3 InChI Key

RPZXUSJCSDQNTE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=CC(=C1F)Cl)Cl)C(=O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 86393-34-2

2. 2,4-dichloro-5-fluorobenzoylchloride

3. 2,4-dichloro-5-fluoro-benzoyl Chloride

4. Mfcd00075341

5. 24-dichloro-5-fluorobenzoyl Chloride

6. 2,4-dichloro-5-fluoro Benzoyl Chloride

7. Ec 428-390-1

8. Schembl1180396

9. Dtxsid60371627

10. Amy40418

11. Zinc2545359

12. Akos015850031

13. Js-4138

14. Db-019895

15. Cs-0267893

16. D4380

17. Ft-0610011

18. 2,4-dichloro-5-fluorobenzoyl Chloride, 97%

19. A841634

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₂Cl₃FO
Molecular Weight	227.4 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	225.915526 g/mol
Monoisotopic Mass	225.915526 g/mol
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188
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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