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Sodium bromofluoroacetate

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CAS Number
70395-36-7
MDL Number
MFCD04038356
Purity
98%
Smiles
[Na+].[O-]C(=O)C(F)Br

Chemical Information

Sodium bromofluoroacetate
CAS Number70395-36-7
PubChem CID2782419
IUPAC Namesodium 2-bromo-2-fluoroacetate
Molecular FormulaC2HBrFNaO2
Molecular Weight178.92
Topological Polar Surface Area40.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity68
SMILES
C(C(=O)[O-])(F)Br.[Na+]
InChI
InChI=1S/C2H2BrFO2.Na/c3-1(4)2(5)6;/h1H,(H,5,6);/q;+1/p-1
InChIKey
SFSPMEOOLFPNOR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Sodium bromofluoroacetate
CAS: 70395-36-7
CID: 2782419
Formula: C2HBrFNaO2
MW: 178.92
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight178.92
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass177.90416
Monoisotopic Mass177.90416
Topological Polar Surface Area40.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity68.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-311538ASodium bromofluoroacetate
sc-252798Ethyl bromofluoroacetate
237704-01Ethyl Bromofluoroacetate 98+% (GC)
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21121001Sodium caprylate- (Sodium octanoate)
RM-T081600-01Thiopental Sodium And Sodium Carbonate
GTR19178128-01Emlenoflast sodium (MCC7840 sodium)
AR-M08542-01Nadroparin Sodium (Heparin Sodium)
31112-22Sodium
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