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CAS 74534-15-9

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CHEMISTRY

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Also known as: 74534-15-9, 1-chloro-2-iodo-4-nitro-benzene, 4-chloro-3-iodonitrobenzene, Nsc223078, 4-nitro-2-jod-chlorbenzol, 2-iodo-4-nitrochlorobenzene

Molecular Formula

C₆H₃ClINO₂

Molecular Weight

283.45 g/mol

InChI Key

LOQLBMYYBHCMJJ-UHFFFAOYSA-N

CAS 74534-15-9

1 2D Structure

CAS 74534-15-9

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-chloro-2-iodo-4-nitrobenzene

2.1.2 InChI

InChI=1S/C6H3ClINO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

2.1.3 InChI Key

LOQLBMYYBHCMJJ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1[N+](=O)[O-])I)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 74534-15-9

2. 1-chloro-2-iodo-4-nitro-benzene

3. 4-chloro-3-iodonitrobenzene

4. Nsc223078

5. 4-nitro-2-jod-chlorbenzol

6. 2-iodo-4-nitrochlorobenzene

7. 2-chloro-5-nitro-iodobenzene

8. 2-iodo-4-nitrochloro-benzene

9. Schembl840447

10. 1-chloro-2-iodo4-nitro-benzene

11. Dtxsid80310250

12. Cs-m1168

13. Zinc1756744

14. Mfcd11521301

15. Akos005071683

16. Ae-0243

17. Nsc-223078

18. Db-074837

19. Ft-0657250

20. A838161

21. J-504499

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₃ClINO₂
Molecular Weight	283.45 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	282.88970 g/mol
Monoisotopic Mass	282.88970 g/mol
Topological Polar Surface Area	45.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	161
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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