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Also known as: 18776-12-0, 3-chloro-1-phenyl-1-propanol, 3-chloro-1-phenyl-propanol, 3-chloro-1-phenylpropanol, 3-chloro-1-phenyl-propan-1-ol, (r)-(+)-3-chloro-1-phenylpropanol
Molecular Formula
C9H11ClO
Molecular Weight
170.63  g/mol
InChI Key
JZFUHAGLMZWKTF-UHFFFAOYSA-N

CAS 18776-12-0
1 2D Structure

CAS 18776-12-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-chloro-1-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C9H11ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2
2.1.3 InChI Key
JZFUHAGLMZWKTF-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C(CCCl)O
2.2 Synonyms
2.2.1 MeSH Synonyms

1. 3-chloro-1-phenyl-propanol

2. 3-chloro-1-phenylpropanol

2.2.2 Depositor-Supplied Synonyms

1. 18776-12-0

2. 3-chloro-1-phenyl-1-propanol

3. 3-chloro-1-phenyl-propanol

4. 3-chloro-1-phenylpropanol

5. 3-chloro-1-phenyl-propan-1-ol

6. (r)-(+)-3-chloro-1-phenylpropanol

7. Mfcd09878800

8. Rac 3-chloro-1-phenylpropanol

9. Mfcd00013309

10. Mfcd00075128

11. Schembl525669

12. 1-phenyl-3-chloro-1-propanol

13. Dtxsid80341286

14. Act09179

15. Albb-004119

16. Bcp12491

17. Bcp15449

18. Alpha-(2-chloroethyl)benzyl Alcohol

19. Stk502931

20. Akos000321631

21. Akos016342130

22. Racemic 3-chloro-1-phenyl-1-propanol

23. Cs-w019837

24. Sb44472

25. Benzenemethanol, Alpha-(2-chloroethyl)-

26. Ds-13210

27. Sy021621

28. Sy021625

29. Sy021671

30. Bb 0240838

31. Ft-0601029

32. Ft-0642419

33. Ft-0664923

34. A23534

35. 776c120

36. J-012087

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 170.63 g/mol
Molecular Formula C9H11ClO
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count3
Exact Mass170.0498427 g/mol
Monoisotopic Mass170.0498427 g/mol
Topological Polar Surface Area20.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity99.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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IPhEB Russia
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IPhEB Russia
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3-chloro-1-phenylpropanol (3CPPA)

CAS Number : 18776-12-0

End Use API :

About the Company : Alembic Pharmaceuticals Limited is a leading pharmaceutical company in India. The Company is vertically integrated with the ability to develop, manufacture and market pharmaceutical pro...

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02

IPhEB Russia
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IPhEB Russia
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3-Chloro-1-phenylpropan-1-ol

CAS Number : 18776-12-0

End Use API :

About the Company : Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma compani...

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Temad Co

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Emay Pharmaceuticals

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