CAS 100306-33-0

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Also known as: 100306-33-0, (r)-(+)-3-chloro-1-phenyl-1-propanol, (r)-3-chloro-1-phenylpropan-1-ol, (1r)-3-chloro-1-phenyl-propan-1-ol, (r)-(+)-3-chloro-1-phenylpropanol, (r)-3-chloro-1-phenyl-1-propanol

Molecular Formula

C₉H₁₁ClO

Molecular Weight

170.63 g/mol

InChI Key

JZFUHAGLMZWKTF-SECBINFHSA-N

1 2D Structure

CAS 100306-33-0

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R)-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/t9-/m1/s1

2.1.3 InChI Key

JZFUHAGLMZWKTF-SECBINFHSA-N

2.1.4 Canonical SMILES

C1=CC=C(C=C1)C(CCCl)O

2.1.5 Isomeric SMILES

C1=CC=C(C=C1)[C@@H](CCCl)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 100306-33-0

2. (r)-(+)-3-chloro-1-phenyl-1-propanol

3. (r)-3-chloro-1-phenylpropan-1-ol

4. (1r)-3-chloro-1-phenyl-propan-1-ol

5. (r)-(+)-3-chloro-1-phenylpropanol

6. (r)-3-chloro-1-phenyl-1-propanol

7. (r)-3-chloro-1-phenylpropanol

8. [r]-3-chloro-1-phenylpropanol

9. Mfcd00075128

10. Benzenemethanol, Alpha-(2-chloroethyl)-, (alphar)-

11. Schembl1142222

12. Dtxsid50349017

13. (r)-1-phenyl-3-chloro-1-propanol

14. (1r)-3-chloro-1-phenyl-1-propanol

15. 3-chloro-1-(r)-phenyl-propan-1-ol

16. Akos015850599

17. Akos015888236

18. Ac-6655

19. Cs-w002319

20. Db06934

21. (r )-(+)-3-chloro-1-phenylpropanol

22. (r)-alpha-(2-chloroethyl)benzenemethanol

23. Bp-13229

24. Ds-10681

25. C2423

26. (1r)-3-chloro-1-phenyl-propan-1-ol,98%

27. (r)-(+)-alpha-(2-chloroethyl)benzyl Alcohol

28. En300-207538

29. (r)-(+)-3-chloro-1-phenyl-1-propanol, 98%

30. R(+)-alpha-(2-chloroethyl)benzyl Alcohol

31. J-502098

32. Q27095839

33. Z1255356297

2.3 Create Date

2005-07-19

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	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	20.2
Heavy Atom Count	11
Formal Charge	0
Complexity	99.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1