CAS 41870-52-4

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[chloro(phenyl)methyl]-2-methylbenzene

2.1.2 InChI

InChI=1S/C14H13Cl/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12/h2-10,14H,1H3

2.1.3 InChI Key

VTZTUKIBJQCCMO-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC=CC=C1C(C2=CC=CC=C2)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 41870-52-4

2. 1-(chloro(phenyl)methyl)-2-methylbenzene

3. 1-[chloro(phenyl)methyl]-2-methylbenzene

4. 1-(chlorophenylmethyl)-2-methylbenzene

5. 2-methylbenzhydrylchloride

6. 1(-chlorophenyl-methyl)-2-mehtylbenzene

7. Chloro(2-methylphenyl)phenylmethane

8. Ec 431-450-1

9. 2-(alpha-chlorobenzyl)toluene

10. Schembl10799696

11. Dtxsid40445052

12. Mfcd00972765

13. Akos001261297

14. Akos016842984

15. Ac-14475

16. Bs-44003

17. Ft-0651834

18. M2211

19. 1-[chloranyl(phenyl)methyl]-2-methyl-benzene

20. En300-22754

21. D91583

22. 870m524

23. A809983

24. J-504126

2.3 Create Date

2006-10-26

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₃Cl
Molecular Weight	216.70 g/mol
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	216.0705781 g/mol
Monoisotopic Mass	216.0705781 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	184
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

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