CAS 35271-74-0

Chemistry, 4 End Use API, 1 Related Intermediates

Manufacturers/Suppliers

4 Suppliers

4 Suppliers

Also known as: 35271-74-0, 3-(4-chlorophenyl)glutaric acid, Pentanedioic acid, 3-(4-chlorophenyl)-, 3-(4-chlorophenyl) glutarate, 3-(4-chlorophenyl)-pentanedioic acid, Mfcd00190249

Molecular Formula

C₁₁H₁₁ClO₄

Molecular Weight

242.65 g/mol

InChI Key

URXVLIVRJJNJII-UHFFFAOYSA-N

1 2D Structure

CAS 35271-74-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(4-chlorophenyl)pentanedioic acid

2.1.2 InChI

InChI=1S/C11H11ClO4/c12-9-3-1-7(2-4-9)8(5-10(13)14)6-11(15)16/h1-4,8H,5-6H2,(H,13,14)(H,15,16)

2.1.3 InChI Key

URXVLIVRJJNJII-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 35271-74-0

2. 3-(4-chlorophenyl)glutaric Acid

3. Pentanedioic Acid, 3-(4-chlorophenyl)-

4. 3-(4-chlorophenyl) Glutarate

5. 3-(4-chlorophenyl)-pentanedioic Acid

6. Mfcd00190249

7. B-(4-chlorophenyl) Glutaric Acid

8. Einecs 252-477-1

9. Baclofen Impurity 1

10. Maybridge1_006241

11. Oprea1_702129

12. Schembl391659

13. Cs-waa0108

14. 3-(p-chlorophenyl)glutaric Acid

15. Hms559d15

16. Dtxsid80188759

17. 3-(4-chlorophenyl) Glutaric Acid

18. Albb-010225

19. Zinc4253570

20. Ccg-45938

21. Stk664062

22. Akos003368105

23. Cs-w010273

24. 3-(4-chlorophenyl)glutaric Acid-[d4]

25. Ac-19667

26. Ds-14367

27. Sy001983

28. Db-021647

29. Am20060450

30. Ft-0613656

31. En300-93915

32. 271c740

33. A822705

34. Sr-01000635675-1

35. W-106683

36. Z1270207954

2.3 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₁ClO₄
Molecular Weight	242.65 g/mol
XLogP3	1.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	242.0345865 g/mol
Monoisotopic Mass	242.0345865 g/mol
Topological Polar Surface Area	74.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	243
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