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CAS 18776-12-0 manufacturers and suppliers on PharmaCompass

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CAS 18776-12-0
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

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
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