4-nitrobenzenesulfonic acid
structural formula
| business number | 03rz |
|---|---|
| molecular formula | c6h5no5s |
| molecular weight | 203.17 |
| label |
aromatic compounds |
numbering system
cas number:138-42-1
mdl number:mfcd00041886
einecs number:205-329-5
rtecs number:none
brn number:none
pubchem id:none
physical property data
none
toxicological data
none
ecological data
none
molecular structure data
molecular property data:
1、 molar refractive index：43.13
2, molar volume（m3/mol):124.0
3, isotonic specific volume（90.2k）：357.3
4, surface tension（3.0 dyne/cm):68.8
5, polarizability（0.5 10-24 cm3):17.10
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):0.8
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 5
4. number of rotatable chemical bonds: 1
5. number of tautomers:
6. topological molecular polar surface area (tpsa):97.5
7. number of heavy atoms: 13calculate chemical data
1. reference value for hydrophobic parameter calculation (xlogp):0.8 2. number of hydrogen bond donors: 1 3. number of hydrogen bond acceptors: 5 4. number of rotatable chemical bonds: 1 5. number of tautomers: 6. topological molecular polar surface area (tpsa):97.5 7. number of heavy atoms: 13 8. surface charge: 0 9. complexity: 279 10. number of isotope atoms: 0 11. determine the number of atomic stereocenters: 0 12. the number of uncertain atomic stereocenters: 0 13. determine the number of stereocenters of chemical bonds: 0 14. uncertain number of chemical bond stereocenters: 0 15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
prepared from the hydrolysis of p-nitrobenzene sulfonyl chloride.
purpose
this product is an organic synthesis intermediate.
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8. surface charge: 0
9. complexity: 279
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 0
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
prepared from the hydrolysis of p-nitrobenzene sulfonyl chloride.
purpose
this product is an organic synthesis intermediate.
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