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3-bromo-4-hydroxy-5-nitrobenzonitrile

3-bromo-4-hydroxy-5-nitrobenzonitrile structure

CAS No:
1828-58-6
Formula:
C7H3BrN2O3
Chemical Name:
3-bromo-4-hydroxy-5-nitrobenzonitrile
Synonyms:
3-Bromo-4-hydroxy-5-nitrobenzonitrile;Benzonitrile, 3-bromo-4-hydroxy-5-nitro-;3-Bromo-4-hydroxy-5-nitro-Benzonitrile;SCHEMBL1735159;2-Bromo-4-cyano-6-nitrophenol;CTK4D8327;DTXSID30171333;ZINC33505699;QC-5077;3-nitro-5-bromo-4-hydroxy-benzonitrile

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3-bromo-4-hydroxy-5-nitrobenzonitrile Basic Attributes

Molecular Weight：

243.01432

Exact Mass：

241.93300

EC Number：

-0

DSSTox ID：

DTXSID30171333

HScode：

2926909090

Characteristics

PSA：

89.8

XLogP3：

2.45778

Density：

1.98±0.1 g/cm3(Predicted)

Melting Point：

164-165 °C

Boiling Point：

273.4±40.0 °C(Predicted)

Flash Point：

119.2ºC

Refractive Index：

1.686

Vapor Pressure：

0.00344mmHg at 25°C

Computed Properties

Molecular Weight:243.01
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:241.93270
Monoisotopic Mass:241.93270
Topological Polar Surface Area:89.8
Heavy Atom Count:13
Complexity:256
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-bromo-4-hydroxy-5-nitrobenzonitrile

Basic Attributes
Characteristics
Computed Properties

3-bromo-4-hydroxy-5-nitrobenzonitrile

SDS

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