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2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate structure

CAS No:
1545-75-1
Formula:
C14H7F3NO4S-
Chemical Name:
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate
Synonyms:
2-{[2-nitro-4-(trifluoromethyl)phenyl]thio}benzoic acid;2-{[2-Nitro-4-(trifluoromethyl)phenyl]sulfanyl}benzoic acid;Benzoicacid, 2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-;2-[2-nitro-4-(trifluoromethyl)phenylthio]benzoic acid;2-((2-Nitro-4-(trifluoromethyl)phenyl)thio)benzoic acid;2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoic Acid;SCHEMBL7824348;CTK0I4295;DTXSID70367076;ALBB-025949

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2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate Basic Attributes

Molecular Weight：

343.28

Exact Mass：

343.013

DSSTox ID：

DTXSID70367076

HScode：

2930909090

Characteristics

PSA：

108

XLogP3：

4.2

Boiling Point：

421.6ºC at 760mmHg

Flash Point：

208.8ºC

Refractive Index：

1.622

Vapor Pressure：

7.31E-08mmHg at 25°C

Computed Properties

Molecular Weight:343.28
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:343.01261340
Monoisotopic Mass:343.01261340
Topological Polar Surface Area:108
Heavy Atom Count:23
Complexity:454
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Learn More Other Chemicals

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

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Guide of 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

Basic Attributes
Characteristics
Computed Properties
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2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylbenzoate

SDS

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