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3-Nitrobenzo[b]thiophene

3-Nitrobenzo[b]thiophene structure

CAS No:
17402-80-1
Formula:
C8H5NO2S
Chemical Name:
3-Nitrobenzo[b]thiophene
Synonyms:
Benzo[b]thiophene,3-nitro-;3-Nitrobenzo[b]thiophene;3-Nitrobenzothiophene;NSC 3747;NSC 48511;3-Nitro-1-benzothiophene
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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3-Nitrobenzo[b]thiophene Basic Attributes

Molecular Weight：

179.1958

Exact Mass：

179.20

UNII：

9NY9BH3TLC

NSC Number：

48511|3747

DSSTox ID：

DTXSID3075125

HScode：

2934999090

Characteristics

PSA：

74.1

XLogP3：

3.33270

Density：

1.435g/cm3

Melting Point：

79 °C

Boiling Point：

324.6ºC at 760mmHg

Flash Point：

150.1ºC

Refractive Index：

1.714

Vapor Pressure：

0.000461mmHg at 25°C

Computed Properties

Molecular Weight:179.20
XLogP3:2.9
Hydrogen Bond Acceptor Count:3
Exact Mass:179.00409958
Monoisotopic Mass:179.00409958
Topological Polar Surface Area:74.1
Heavy Atom Count:12
Complexity:192
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Nitrobenzo[b]thiophene

Basic Attributes
Characteristics
Computed Properties
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3-Nitrobenzo[b]thiophene

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