CAS 1204-44-0

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Also known as: 1204-44-0, 4'-chloro-biphenyl-2-ylamine, 2-(4-chlorophenyl)aniline, 4'-chlorobiphenyl-2-amine, 4'-chlorobiphenyl-2-ylamine, 2-amino-4'-chlorobiphenyl

Molecular Formula

C₁₂H₁₀ClN

Molecular Weight

203.67 g/mol

InChI Key

JPBWZIPCMDZOPM-UHFFFAOYSA-N

1 2D Structure

CAS 1204-44-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(4-chlorophenyl)aniline

2.1.2 InChI

InChI=1S/C12H10ClN/c13-10-7-5-9(6-8-10)11-3-1-2-4-12(11)14/h1-8H,14H2

2.1.3 InChI Key

JPBWZIPCMDZOPM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1204-44-0

2. 4'-chloro-biphenyl-2-ylamine

3. 2-(4-chlorophenyl)aniline

4. 4'-chlorobiphenyl-2-amine

5. 4'-chlorobiphenyl-2-ylamine

6. 2-amino-4'-chlorobiphenyl

7. Mls002695317

8. 4'-chloro[1,1'-biphenyl]-2-amine

9. 4'-chloro-2-biphenylamine

10. Nsc95712

11. 4'-chloro-2-aminobiphenyl

12. Nciopen2_005832

13. Akos Bar-0110

14. Schembl395875

15. Amy177

16. Chembl1868314

17. 4'-chloro-biphenyl-2-yl Amine

18. Dtxsid40923380

19. Hms3092i23

20. Baa20444

21. Bcp17172

22. Zinc1621381

23. 4'-chloro-1,1'-biphenyl-2-amine

24. Mfcd03424659

25. Nsc-95712

26. Akos002683514

27. Ab14566

28. Ds-5427

29. 2-amino-4'-chlorobiphenyl Hydrochloride

30. Smr001561223

31. Bb 0222451

32. Cs-0156682

33. Ft-0633481

34. F20479

35. A804507

36. 2-amino-4 Inverted Exclamation Marka-chlorobiphenyl

37. 4 Inverted Exclamation Marka-chloro-biphenyl-2-ylamine

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₀ClN
Molecular Weight	203.67 g/mol
XLogP3	3.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	203.0501770 g/mol
Monoisotopic Mass	203.0501770 g/mol
Topological Polar Surface Area	26 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	175
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