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[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate

[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate structure

CAS No:
726161-95-1
Formula:
C18H8Cl4N2O3S
Chemical Name:
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate
Synonyms:
ZINC3268803;AKOS034446783;MCULE-6577980626;Z55707129;[(5-chloro-2-cyanophenyl)carbamoyl]methyl 3,4,6-trichloro-1-benzothiophene-2-carboxylate;726161-95-1

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[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate Basic Attributes

Molecular Weight：

474.1 g/mol

Exact Mass：

473.898024 g/mol

Characteristics

PSA：

107 Å²

Computed Properties

Molecular Weight:474.1
XLogP3:6.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:473.898024
Monoisotopic Mass:471.900974
Topological Polar Surface Area:107
Heavy Atom Count:28
Complexity:660
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate

Basic Attributes
Characteristics
Computed Properties
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