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sodium 2,3,4-trifluorobenzoate

sodium 2,3,4-trifluorobenzoate

CAS: 402955-41-3

Formula: C7H2F3NaO2

SMILES: [Na+].[O-]C(=O)C1=CC=C(F)C(F)=C1F

IUPAC: sodium 2,3,4-trifluorobenzoate

InChI: InChI=1S/C7H3F3O2.Na/c8-4-2-1-3(7(11)12)5(9)6(4)10;/h1-2H,(H,11,12);/q;+1/p-1

Composition: C (42.45%), H (1.02%), F (28.77%), Na (11.61%), O (16.15%)

Molar Mass: 198.076

Atom Count: 15

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.99045807
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NZIOVCZZRCWAHP-UHFFFAOYSA-M
Lipinski's Rule of Five 1
Molar Refractivity 44.8
Topological Polar Surface Area 40.13
Polarizability 12.09
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS UnitPrice
98% <10 Days 402955-41-3 Quote Only
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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 402955-41-3 $21.44-$68.09$21.44$68.09
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