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6-(trifluoromethyl)pyrazine-2-carboxylic acid

6-(trifluoromethyl)pyrazine-2-carboxylic acid

CAS: 1060812-74-9

Formula: C6H3F3N2O2

SMILES: OC(=O)C1=CN=CC(=N1)C(F)(F)F

IUPAC: 6-(trifluoromethyl)pyrazine-2-carboxylic acid

InChI: InChI=1S/C6H3F3N2O2/c7-6(8,9)4-2-10-1-3(11-4)5(12)13/h1-2H,(H,12,13)

Composition: C (37.52%), H (1.57%), F (29.67%), N (14.58%), O (16.66%)

Molar Mass: 192.097

Atom Count: 16

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 192.014661834
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XSTQESYINDCIJM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.23
Topological Polar Surface Area 63.08
Polarizability 12.58
Ring Count 1
Rotatable Bond Count 2

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