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2-Bromo-3-nitrothiphene

2-Bromo-3-nitrothiphene structure

CAS No:
2161-96-8
Formula:
C4H2BrNO2S
Chemical Name:
2-Bromo-3-nitrothiphene
Synonyms:
2-bromo-3-nitrothiophene;2-Bromo-3-nitrothiphene;Thiophene, 2-bromo-3-nitro-;SCHEMBL5841002;3-Nitro-2-bromothiophene-5-ide;CTK5I4043;DTXSID80360912;ZINC967466;KS-00000DB8
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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2-Bromo-3-nitrothiphene Basic Attributes

Molecular Weight：

208.03

Exact Mass：

206.898956

DSSTox ID：

DTXSID80360912

HScode：

2934999090

Characteristics

PSA：

74.1

XLogP3：

2.5

Density：

1.9±0.1 g/cm3

Melting Point：

81-83 °C

Boiling Point：

236.8ºC at 760 mmHg

Flash Point：

97.0±21.8 °C

Refractive Index：

1.647

Vapor Pressure：

0.0712mmHg at 25°C

Drug Information

MeSH Entry Terms：

2-bromo-3-nitrothiophene

Computed Properties

Molecular Weight:208.04
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Exact Mass:206.89896
Monoisotopic Mass:206.89896
Topological Polar Surface Area:74.1
Heavy Atom Count:9
Complexity:126
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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