AG00D9K0

499-90-1 | Sodium 4-fluorobenzoate

AG00D9K0

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CAS Number	499-90-1
Catalog Number	AG00D9K0(AGN-PC-0S5IMQ)
Chemical Name	Sodium 4-fluorobenzoate
EC Number	610-488-2
IUPAC Name	sodium;4-fluorobenzoate
InChI	InChI=1S/C7H5FO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
InChI Key	BXUFZAPBZADONQ-UHFFFAOYSA-M
MDL Number	MFCD01661384
Molecular Formula	C7H4FNaO2
Molecular Weight	162.0936
SMILES	O=C([O-])C1=CC=C(F)C=C1.[Na+]
Synonyms	sodium 4-fluorobenzoate, 499-90-1, p-Fluorobenzoic acid sodium salt, 4-Fluorobenzoic acid sodium salt, 4-FLUOROBENZOIC ACID SODIUM, BENZOIC ACID, 4-FLUORO-, SODIUM SALT, Benzoic acid,4-fluoro-, sodium salt (1:1), CHEMBL1762651, C7H4FNaO2, AC1Q1VV7, SCHEMBL1044193, CTK4J1906, DTXSID80198151, 4-fluorobenzoic acid, sodium salt, MFCD01661384, SBB087563, AKOS003052886, AKOS006222291, AS00778, VZ29075, AK135790, LS-37480, AB0011871, TR-017914, FT-0632236, Benzoic acid, 4-fluoro-, sodium salt (1:1), I01-15333, C7-H4-F-O2.Na, CID10368, AR-1L4861, 5190-63-6,

Complexity	132
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	H315-H319-H335
Packing Group
Precautionary statements	P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number