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3-bromo-4-oxochromen-2-olate

3-bromo-4-oxochromen-2-olate structure

CAS No:
2650-14-8
Formula:
C9H5BrO3
Chemical Name:
3-bromo-4-oxochromen-2-olate
Synonyms:
3-Brom-4-hydroxycumarin; 3-bromo-4-hydroxy-2H-chromen-2-one; 3-bromo-4-hydroxy-chromen-2-one; 3-bromo-4-hydroxy-coumarin; 3-Brom-4-hydroxy-2-oxo-2H<1>benzopyran;

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3-bromo-4-oxochromen-2-olate Basic Attributes

Molecular Weight：

241.03800

Exact Mass：

239.94221

DSSTox ID：

DTXSID90680097

Characteristics

PSA：

50.44000

XLogP3：

2.26110

Density：

1.937g/cm3

Boiling Point：

278.2ºC

Flash Point：

122.1ºC

Refractive Index：

1.719

Vapor Pressure：

0.00207mmHg at 25°C

Drug Information

MeSH Entry Terms：

3-bromo-4-hydroxy-2H-chromen-2-one

Computed Properties

Molecular Weight:241.04
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:239.94221
Monoisotopic Mass:239.94221
Topological Polar Surface Area:46.5
Heavy Atom Count:13
Complexity:272
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-bromo-4-oxochromen-2-olate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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