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
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Toxicological data
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Ecological data
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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
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Storage method
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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
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Synthesis method
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Purpose
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