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2-ACETYL-4-NITROTHIOPHENE

2-ACETYL-4-NITROTHIOPHENE structure

CAS No:
42791-51-5
Formula:
C6H5NO3S
Chemical Name:
2-ACETYL-4-NITROTHIOPHENE
Synonyms:
1-(4-nitrothiophen-2-yl)ethanone;2-ACETYL-4-NITROTHIOPHENE;Ethanone, 1-(4-nitro-2-thienyl)-;1-(4-nitrothiophen-2-yl)ethan-1-one;2acetyl-4-nitrothiophene;SCHEMBL2789975;CTK1D5528;DTXSID10343990;ZINC173954;1-(4-nitro-2-thienyl)-1-ethanone

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2-ACETYL-4-NITROTHIOPHENE Basic Attributes

Molecular Weight：

171.1738

Exact Mass：

170.99900

DSSTox ID：

DTXSID10343990

HScode：

2934999090

Characteristics

PSA：

91.1

XLogP3：

2.38210

Density：

1.399g/cm3

Boiling Point：

280.9ºC at 760 mmHg

Flash Point：

123.7ºC

Refractive Index：

1.589

Computed Properties

Molecular Weight:171.18
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:170.99901420
Monoisotopic Mass:170.99901420
Topological Polar Surface Area:91.1
Heavy Atom Count:11
Complexity:189
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-ACETYL-4-NITROTHIOPHENE

Basic Attributes
Characteristics
Computed Properties

2-ACETYL-4-NITROTHIOPHENE

SDS

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