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3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol

3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol structure

CAS No:
111537-53-2
Formula:
C14H12Br2O5
Chemical Name:
3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol
Synonyms:
1,2-Benzenediol,3-bromo-4-((3-bromo-4,5-dihydroxyphenyl)methyl)-5-(hydroxymethyl); 5-Hydroxyisoavrainvilleol; 3-Bromo-4-((3-bromo-4,5-dihydroxyphenyl)methyl)-5-(hydroxymethyl)-1,2-benzenediol;

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3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol Basic Attributes

Molecular Weight：

420.05000

Exact Mass：

419.90310

DSSTox ID：

DTXSID80149688

Characteristics

PSA：

101.15000

XLogP3：

3.11710

Density：

2.012g/cm3

Boiling Point：

592.6ºC

Flash Point：

312.2ºC

Refractive Index：

1.748

Vapor Pressure：

6.9E-15mmHg at 25°C

Drug Information

MeSH Entry Terms：

5-hydroxyisoavrainvilleol

Computed Properties

Molecular Weight:420.05
XLogP3:2.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:419.90310
Monoisotopic Mass:417.90515
Topological Polar Surface Area:101
Heavy Atom Count:21
Complexity:345
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-bromo-4-[(3-bromo-4,5-dihydroxyphenyl)methyl]-5-(hydroxymethyl)benzene-1,2-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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