CAS 573764-31-5

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Also known as: 573764-31-5, Benzenamine, 4-chloro-3-iodo-, 4-chloro-3-iodo-aniline, Mfcd11521292, 4-chloro-3-iodo aniline, 4-chloro-3-iodophenylamine

Molecular Formula

C₆H₅ClIN

Molecular Weight

253.47 g/mol

InChI Key

AWJWTZAGRWNBFC-UHFFFAOYSA-N

1 2D Structure

CAS 573764-31-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-chloro-3-iodoaniline

2.1.2 InChI

InChI=1S/C6H5ClIN/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2

2.1.3 InChI Key

AWJWTZAGRWNBFC-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=C(C=C1N)I)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 573764-31-5

2. Benzenamine, 4-chloro-3-iodo-

3. 4-chloro-3-iodo-aniline

4. Mfcd11521292

5. 4-chloro-3-iodo Aniline

6. 4-chloro-3-iodophenylamine

7. 4-chloro-3-iodo-phenylamine

8. Schembl1016688

9. Dtxsid50619242

10. Yxa76431

11. Td1336

12. Zinc71618592

13. Akos022171757

14. Cs-w005554

15. Mb09944

16. Ps-7437

17. Ac-28496

18. Sy034476

19. Ft-0728379

20. A831416

21. Ae-562/43458279

22. J-504517

23. Z2379087697

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₆H₅ClIN
Molecular Weight	253.47 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	252.91552 g/mol
Monoisotopic Mass	252.91552 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.1
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