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1-(5-nitrothiophen-3-yl)ethanone

1-(5-nitrothiophen-3-yl)ethanone structure

CAS No:
58157-89-4
Formula:
C6H5NO3S
Chemical Name:
1-(5-nitrothiophen-3-yl)ethanone
Synonyms:
4-Acetyl-2-nitrothiophene; 3-acetyl-5-nitrothiophene; 2-nitro-4-acetylthiophene;

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1-(5-nitrothiophen-3-yl)ethanone Basic Attributes

Molecular Weight：

171.17400

Exact Mass：

170.99901420

DSSTox ID：

DTXSID90370648

Characteristics

PSA：

91.13000

XLogP3：

2.38210

Appearance：

white to light yellow crystal powder

Density：

1.399g/cm3

Melting Point：

59ºC

Boiling Point：

247.9ºC at 760 mmHg

Flash Point：

103.7ºC

Refractive Index：

1.589

Safety Information

safety instructions：

S24/25

Marks：

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 1-(5-nitrothiophen-3-yl)ethanone

Basic Attributes
Characteristics
Safety Information
Computed Properties

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