structural formula

business number	029n
molecular formula	c8h9cl
molecular weight	140.61
label	2-chlorine counterstubble, 2-chloro-p-xylene, 2-chloro-1,4-dimethylbenzene, 2,5-dimethylchlorobenzene, 2-chloro-1,4-dimethylbenzene, (ch3)2c6h3cl

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

numbering system

cas number:95-72-7

mdl number:mfcd00000564

einecs number:202-444-2

rtecs number:none

brn number:2040349

pubchem number:24856134

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

1. molar refractive index: 40.79

2. molar volume (cm³/mol): 133.9

3. isotonic specific volume (90.2k ): 318.4

4. surface tension (dyne/cm): 31.9

5. polarizability (10-24cm3): 16.17

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 0

4. number of rotatable chemical bonds: 0

5. number of tautomers: none

6. topological molecule polar surface area 0

7. number of heavy atoms: 9

8. surface charge: 0

9. complexity: 90.6

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 0

13. determine the number of chemical bond stereocenters: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

none yet

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