CAS 2905-60-4

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Also known as: 2905-60-4, Benzoyl chloride, 2,3-dichloro-, Benzoyl chloride, dichloro-, Dichlorobenzoyl chloride, 2,3-dichlorobenzoylchloride, 25134-08-1

Molecular Formula

C₇H₃Cl₃O

Molecular Weight

209.5 g/mol

InChI Key

YBONBWJSFMTXLE-UHFFFAOYSA-N

FDA UNII

I50F21PS1N

1 2D Structure

CAS 2905-60-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3-dichlorobenzoyl chloride

2.1.2 InChI

InChI=1S/C7H3Cl3O/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H

2.1.3 InChI Key

YBONBWJSFMTXLE-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Other Identifiers

2.2.1 UNII

I50F21PS1N

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 2905-60-4

2. Benzoyl Chloride, 2,3-dichloro-

3. Benzoyl Chloride, Dichloro-

4. Dichlorobenzoyl Chloride

5. 2,3-dichlorobenzoylchloride

6. 25134-08-1

7. I50f21ps1n

8. Einecs 246-643-2

9. Unii-i50f21ps1n

10. Hsdb 5901

11. Einecs 220-811-5

12. Schembl93365

13. 2,3-dichlorobenzoyl-chloride

14. 2, 3-dichlorobenzoyl Chloride

15. 2,3-dichloro-benzoyl Chloride

16. Dtxsid9062697

17. Ybonbwjsfmtxle-uhfffaoysa-n

18. Mfcd00035937

19. Akos009156529

20. 2,3-dichlorobenzoyl Chloride, Aldrichcpr

21. 2,3-dichlorobenzoyl Chloride [hsdb]

22. D3206

23. Ft-0609559

24. 5d-108

25. En300-1459122

26. A819741

27. W-107011

28. Q27280449

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₃Cl₃O
Molecular Weight	209.5 g/mol
XLogP3	3.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	17.1
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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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