AG00D9XD

499-57-0 | Sodium 3-fluorobenzoate

AG00D9XD

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CAS Number	499-57-0
Catalog Number	AG00D9XD(AGN-PC-0S5EF6)
Chemical Name	Sodium 3-fluorobenzoate
IUPAC Name	sodium;3-fluorobenzoate
InChI	InChI=1S/C7H5FO2.Na/c8-6-3-1-2-5(4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChI Key	GCXUCULHJVOCJG-UHFFFAOYSA-M
MDL Number	MFCD03788550
Molecular Formula	C7H4FNaO2
Molecular Weight	162.0936
SMILES	O=C([O-])C1=CC=CC(F)=C1.[Na+]
Synonyms	Sodium 3-fluorobenzoate, 499-57-0, 3-FLUOROBENZOIC ACID SODIUM, Benzoic acid,3-fluoro-, sodium salt (1:1), sodium,3-fluorobenzoate, AC1MCVC0, 3-Fluorobenzoic acid sodium salt, CTK4J1833, DTXSID80381400, 3-fluorobenzoic acid, sodium salt, ZX-AP005091, CK1073, MFCD03788550, PC5732, SBB087564, AKOS003051594, AKOS006228800, AS00777, VZ26873, AK135767, PS-11783, AB0030617, AX8033813, TR-040787, FT-0632233, X2825, Benzoic acid, 3-fluoro-, sodium salt (1:1), C7H4FO2.Na, SODIUM3-FLUOROBENZOATE, CID2779345, CID2783200,

Complexity	140
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	162.095g/mol
Monoisotopic Mass	162.009g/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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number