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3,4,5-Trichloroguaiacol

3,4,5-Trichloroguaiacol structure

CAS No:
57057-83-7
Formula:
C7H5Cl3O2
Chemical Name:
3,4,5-Trichloroguaiacol
Synonyms:
Phenol,3,4,5-trichloro-2-methoxy-;3,4,5-Trichloro-2-methoxyphenol;3,4,5-Trichloroguaiacol;116453-22-6

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3,4,5-Trichloroguaiacol Basic Attributes

Molecular Weight：

227.5 g/mol

Exact Mass：

227.47

DSSTox ID：

DTXSID7052232

Characteristics

PSA：

29.5 Å²

XLogP3：

3.77 (LogP)

Vapor Pressure：

9.00e-04 mmHg

Toxicity

Bioconcentration：

257.04

Mobility：

630.96 L/kg

Drug Information

Biological Half-Life：

1.29 Days

MeSH Entry Terms：

3,4,5-TCG

Computed Properties

Molecular Weight:227.5
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:225.935512
Monoisotopic Mass:225.935512
Topological Polar Surface Area:29.5
Heavy Atom Count:12
Complexity:156
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4,5-Trichloroguaiacol

Basic Attributes
Characteristics
Toxicity
Drug Information
Computed Properties

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