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