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5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid

5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid

CAS: 944898-06-0

Formula: C4HF3N2O3

SMILES: OC(=O)C1=NN=C(O1)C(F)(F)F

IUPAC: 5-(trifluoromethyl)-1,3,4-oxadiazole-2-carboxylic acid

InChI: InChI=1S/C4HF3N2O3/c5-4(6,7)3-9-8-1(12-3)2(10)11/h(H,10,11)

Composition: C (26.39%), H (0.55%), F (31.31%), N (15.39%), O (26.36%)

Molar Mass: 182.058

Atom Count: 13

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 181.993926389
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XPLONTOEZSMACT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 29.17
Topological Polar Surface Area 76.22
Polarizability 9.99
Ring Count 1
Rotatable Bond Count 2

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97% <2 Days 944898-06-0 $1,147.70-$7,912.00$1,147.70$2,162.00$7,912.00
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