CAS 18776-12-0

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2 End Use APIs
7 Related Intermediates

Chemistry

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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

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 Formula	C₉H₁₁ClO
Molecular Weight	170.63 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	170.0498427 g/mol
Monoisotopic Mass	170.0498427 g/mol
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	99.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1