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sodium 3,5-difluorobenzoate

sodium 3,5-difluorobenzoate

CAS: 530141-39-0

Formula: C7H3F2NaO2

SMILES: [Na+].[O-]C(=O)C1=CC(F)=CC(F)=C1

IUPAC: sodium 3,5-difluorobenzoate

InChI: InChI=1S/C7H4F2O2.Na/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H,10,11);/q;+1/p-1

Composition: C (46.69%), H (1.68%), F (21.10%), Na (12.77%), O (17.77%)

Molar Mass: 180.086

Atom Count: 15

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 179.99987994
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey FXZLBDIGNGMDOK-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 44.58
Topological Polar Surface Area 40.13
Polarizability 12.17
Ring Count 1
Rotatable Bond Count 1

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