BDMAEE

structural formula

business number	03m7
molecular formula	c11h11in2o
molecular weight	314.13
label	1,2-dihydro-4-iodo-1,5-dimethyl-2-phenyl-3h-pyrazol-3-one, aromatic compounds

• 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:129-81-7

mdl number:mfcd00040720

einecs number:204-966-6

rtecs number:none

brn number:none

pubchem id:none

physical property data

none yet

toxicological data

none yet

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 68.11

2. molar volume (m³/mol）：176.7

3. isotonic specific volume (90.2k):488.1

4. surface tension (dyne/cm):58.1

5. polarizability（10^-24cm³):27.00

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: 2

4. number of rotatable chemical bonds: 1

5. number of tautomers: none

6. topological molecule polar surface area 23.6

7. number of heavy atoms: 15

8. surface charge: 0

9. complexity: 308

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