Sodium 2,2,2-Trichloroacetate

CAT: 1299-RG-T180961-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-T180961-01Size:10 mg

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CAS Number

650-51-1

Synonyms

Sodium 2,2,2-trichloroacetate

Molecular Formula

C2Cl3NaO2

Molecular Weight

185.37

Target Alternative Name

Phenacetin

Product Name Synonym

Sodium 2,2,2-trichloroacetate

Chemical Information

Sodium Trichloroacetate

TCA-sodium is an organic molecular entity.

CAS Number	650-51-1
PubChem CID	23681045
IUPAC Name	sodium 2,2,2-trichloroacetate
Molecular Formula	C2Cl3NaO2
Molecular Weight	185.36
Topological Polar Surface Area	40.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	87

SMILES

C(=O)(C(Cl)(Cl)Cl)[O-].[Na+]

InChI

InChI=1S/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1

InChIKey

SAQSTQBVENFSKT-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 650-51-1

CID: 23681045

Formula: C2Cl3NaO2

MW: 185.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.36
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	183.886157
Monoisotopic Mass	183.886157
Topological Polar Surface Area	40.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	87.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
RG-E140114-01	Perchlorophenyl 2,2,2-trichloroacetate
RG-I191537-01	Isopropyl 2,2,2-Trichloroacetate
RG-D090336-01	Sodium 2,2-Dichloroacetate
RG-H250411-01	Sodium 2-Hydroxybutanoate
RG-O241510-01	Sodium 2-Oxopropanoate
RG-H250487-01	Sodium 2-Hydroxypropanoate
RM-C062461-01	Ceftriaxone Sodium Impurity 2
RM-C131402-01	Cefminox Sodium Impurity 2
RM-S650002-01	Sulbactam Sodium Impurity 2
RM-A340002-01	Alendronate Sodium Impurity 2

Catalog	Name
sc-251060	Sodium trichloroacetate
222485	Sodium Trichloroacetate (Trichloroacetic acid sodium salt)
FS80305-01	Sodium 2,2,2-trifluoroethanolate
JH656678	Sodium,2,2-dichloroacetate
PC450208-01	Sodium 2,2-difluorobutyrate
PC450242	Sodium 2,2-difluorohexanoate
OR1028662-01	Sodium 2,2-Dichloropropionate
JH641536	Sodium 2,2'-disulfanediyldiethanesulfonate
PC450283-01	Sodium 2,2-difluoropropionate
OR92335-01	Sodium 2- (2-aminophenyl) -2-oxoacetate