1,2,3-benzotriazin-4(3h)-one
structural formula
| business number | 0221 |
|---|---|
| molecular formula | c7h5n3o |
| molecular weight | 147.13 |
| label |
1,2,3-benzotriazin-4-one, 1,2,3-benzotriazin-4-one |
numbering system
cas number:90-16-4
mdl number:mfcd00052387
einecs number:201-971-5
rtecs number:dm0800000
brn number:124996
pubchem number:24860827
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index 39.71
2. molar volume (cm3/mol): 99.5
3. isotonic specific volume (90.2k) :279.9
4. surface tension (dyne/cm): 62.6
5. polarizability (10-24cm3): 15.74
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 0
5. number of tautomers: 3
6. topological molecule polar surface area 53.8
7. number of heavy atoms: 11
8. surface charge: 0
9. complexity: 202
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
storage method
none
synthesis method
none
purpose
none
