2-(8-chloro-1-naphthylthio)acetic acid 2-(8-chloro-1-naphthylthio)acetic acid
structural formula
| business number | 03m8 |
|---|---|
| molecular formula | c12h9clo2s |
| molecular weight | 252.72 |
| label |
2-(8-chloro-1-naphthylthio)acetic acid, (8-chloro-1-naphthalenethio)acetic acid, 2-(8-chloro-1-naphthylthio)acetic acid, aromatic compounds |
numbering system
cas number:129-94-2
mdl number:mfcd00043901
einecs number:204-971-3
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: 68.06
2. molar volume (m3/mol）：176.7
3. isotonic ratio (90.2k):500.3
4. surface tension (dyne/cm):64.2
5. polarizability（10-24cm3):26.98
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp):3.7
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 2
5. number of tautomers:
6. topological molecular polar surface area (tpsa):37.3
7. number of heavy atoms: 16
8. surface charge: 0
9. complexity: 272
10. number of isotope atoms: 0
4. number of rotatable chemical bonds: 2
5. number of tautomers:
6. topological molecular polar surface area (tpsa):37.3
7. number of heavy atoms: 16
8. surface charge: 0
9. complexity: 272
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 1
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 yet
storage method
none yet
synthesis method
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purpose
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list 54.0pt” align=left>11. determine the number of atomic stereocenters: 1
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 yet
storage method
none yet
synthesis method
none yet
purpose
none yet
