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[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate

[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate structure

CAS No:
571154-64-8
Formula:
C15H10ClF3N2O4
Chemical Name:
[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate
Synonyms:
Enamine_005440;MLS002245161;CHEMBL2144585;HMS1409H06;HMS3049B13;ZINC3316535;AKOS033647478;SMR001308822;AB00719871-01;SR-01000043961;SR-01000043961-1;Z18882853;4-[({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}methoxy)carbonyl]pyridin-1-ium-1-olate;571154-64-8

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[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Basic Attributes

Molecular Weight：

374.70 g/mol

Exact Mass：

374.0281190 g/mol

Characteristics

PSA：

80.9 Å²

Water Solubility：

>56.2 [ug/mL]

Computed Properties

Molecular Weight:374.70
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:374.0281190
Monoisotopic Mass:374.0281190
Topological Polar Surface Area:80.9
Heavy Atom Count:25
Complexity:484
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate

Basic Attributes
Characteristics
Computed Properties
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