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5-(3-NITROPHENYL)-2-THIOPHENECARBOXYLICACID

5-(3-NITROPHENYL)-2-THIOPHENECARBOXYLICACID structure

CAS No:
341015-21-2
Formula:
C11H7NO4S
Chemical Name:
5-(3-NITROPHENYL)-2-THIOPHENECARBOXYLICACID
Synonyms:
5-(3-NITROPHENYL)-2-THIOPHENECARBOXYLIC ACID;AKOS BAR-1992;2-Thiophenecarboxylic acid, 5-(3-nitrophenyl)-

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5-(3-NITROPHENYL)-2-THIOPHENECARBOXYLICACID Basic Attributes

Molecular Weight：

249.24

Exact Mass：

249.00957888

Characteristics

Density：

1.478±0.06 g/cm3

Melting Point：

264-266°

Boiling Point：

472.7±40.0 °C(Predicted)

PKA：

3.30±0.10

Safety Information

Hazard category：

IRRITANT

Computed Properties

Molecular Weight:249.24
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:249.00957888
Monoisotopic Mass:249.00957888
Topological Polar Surface Area:111
Heavy Atom Count:17
Complexity:317
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-(3-NITROPHENYL)-2-THIOPHENECARBOXYLICACID

Basic Attributes
Characteristics
Safety Information
Computed Properties

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