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2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one

2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one structure

CAS No:
104567-72-8
Formula:
C16H10Br2O4
Chemical Name:
2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one
Synonyms:
4H-1-Benzopyran-4-one,2-(3,5-dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-;2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one;EMD 21388;F 21388;2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-chromen-4-one

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2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one Basic Attributes

Molecular Weight：

426.05600

Exact Mass：

426.06

UNII：

41L058NWH3

DSSTox ID：

DTXSID40146557

HScode：

2914700090

Characteristics

PSA：

70.67000

XLogP3：

4.70460

Density：

1.881g/cm3

Boiling Point：

529.1ºC

Flash Point：

273.8ºC

Refractive Index：

1.705

Vapor Pressure：

8.26E-12mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-methyl-4',6-dihydroxy-3',5'-dibromoflavone

Computed Properties

Molecular Weight:426.05
XLogP3:4.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:425.89253
Monoisotopic Mass:423.89458
Topological Polar Surface Area:66.8
Heavy Atom Count:22
Complexity:481
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(3,5-Dibromo-4-hydroxyphenyl)-6-hydroxy-3-methyl-4H-1-benzopyran-4-one

Basic Attributes
Characteristics
Drug Information
Computed Properties

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