AG00AM20

1956366-39-4 | 2-(5-(Trifluoromethyl)pyridin-2-yl)acetic acid, sodium salt

AG00AM20

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CAS Number	1956366-39-4
Catalog Number	AG00AM20(AGN-PC-0WD6UH)
Chemical Name	2-(5-(Trifluoromethyl)pyridin-2-yl)acetic acid, sodium salt
IUPAC Name	sodium;2-[5-(trifluoromethyl)pyridin-2-yl]acetate
InChI	InChI=1S/C8H6F3NO2.Na/c9-8(10,11)5-1-2-6(12-4-5)3-7(13)14;/h1-2,4H,3H2,(H,13,14);/q;+1/p-1
InChI Key	YQFJHUQFVDXIBH-UHFFFAOYSA-M
MDL Number	MFCD28401016
Molecular Formula	C8H5F3NNaO2
Molecular Weight	227.1158
SMILES	[Na+].[O-]C(CC1=NC=C(C(F)(F)F)C=C1)=O
Synonyms	Sodium 2-(5-(trifluoromethyl)pyridin-2-yl)acetate, 1956366-39-4, 2-(5-(Trifluoromethyl)pyridin-2-yl)acetic acid, sodium salt, SODIUM 2-[5-(TRIFLUOROMETHYL)PYRIDIN-2-YL]ACETATE, MFCD28401016, AK164988, KS-10067, 5-Trifluoromethyl-pyridin-2-acetic acid sodium salt,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	227.017g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.118g/mol
Monoisotopic Mass	227.017g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	53A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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