AG00EBQF

6185-28-0 | Sodium 2,6-difluorobenzoate

AG00EBQF

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CAS Number	6185-28-0
Catalog Number	AG00EBQF(AGN-PC-0T1X4Q)
Chemical Name	Sodium 2,6-difluorobenzoate
EC Number	612-558-8
IUPAC Name	sodium;2,6-difluorobenzoate
InChI	InChI=1S/C7H4F2O2.Na/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
InChI Key	NSAGNHHXPUCREY-UHFFFAOYSA-M
MDL Number	MFCD03094398
Molecular Formula	C7H3F2NaO2
Molecular Weight	180.0841
SMILES	O=C([O-])C1=C(F)C=CC=C1F.[Na+]
Synonyms	Sodium 2,6-difluorobenzoate, 6185-28-0, AK112379, SCHEMBL3117220, KS-00000KNV, DTXSID40635719, NSAGNHHXPUCREY-UHFFFAOYSA-M, sodium 2,6-bis(fluoranyl)benzoate, 9283AB, MFCD03094398, SBB089606, 2,6-difluorobenzoic acid, sodium salt, AKOS006229205, AS00783, RP24111, AB0067903, AX8034328, ST2419852, FT-0695282, A833453, Benzoic acid, 2,6-difluoro-, sodium salt (1:1), J-524263, C7H3F2NaO2, CID2778621,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	180.086g/mol
Monoisotopic Mass	180g/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

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