AG00BDR2

25832-58-0 | Sodium 4-trifluoromethylbenzoate

AG00BDR2

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CAS Number	25832-58-0
Catalog Number	AG00BDR2(AGN-PC-0R1PJV)
Chemical Name	Sodium 4-trifluoromethylbenzoate
EC Number	921-850-7
IUPAC Name	sodium;4-(trifluoromethyl)benzoate
InChI	InChI=1S/C8H5F3O2.Na/c9-8(10,11)6-3-1-5(2-4-6)7(12)13;/h1-4H,(H,12,13);/q;+1/p-1
InChI Key	MXBWCDKXDWFHJM-UHFFFAOYSA-M
MDL Number	MFCD08458184
Molecular Formula	C8H4F3NaO2
Molecular Weight	212.1011
SMILES	O=C([O-])C1=CC=C(C(F)(F)F)C=C1.[Na+]
Synonyms	Sodium 4-(trifluoromethyl)benzoate, 25832-58-0, Sodium 4-trifluoromethylbenzoate, AK135783, W-206989, SCHEMBL1042427, sodium p-trifluoromethyl-benzoate, CTK4F6532, sodium 4-trifluoromethyl-benzoate, DTXSID30635804, MXBWCDKXDWFHJM-UHFFFAOYSA-M, sodium,4-(trifluoromethyl)benzoate, KS-00000KH8, MFCD08458184, AKOS015890392, AS00784, LS11187, RP04825, 4-Trifluoromethylbenzoic acid sodium salt, AB0030621, AX8032914, FT-0657956, ST24049250, X2829, A818047, I01-6964, Benzoic acid, 4-(trifluoromethyl)-, sodium salt (1:1), Benzoic acid,4-(trifluoromethyl)-, sodium salt (1:1), C8H4F3O2.Na,

Complexity	197
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.006g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.103g/mol
Monoisotopic Mass	212.006g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	40.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number