6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

CAS: 1258269-13-4

Formula: C12H7F3N2O3

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

IUPAC: 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid

InChI: InChI=1S/C12H7F3N2O3/c13-12(14,15)20-8-3-1-7(2-4-8)9-5-16-6-10(17-9)11(18)19/h1-6H,(H,18,19)

Composition: C (50.72%), H (2.48%), F (20.06%), N (9.86%), O (16.89%)

Molar Mass: 284.194

Atom Count: 27

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	284.040876582
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	OSXYZXXMTIHCMV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.46
Topological Polar Surface Area	72.31
Polarizability	23.74
Ring Count	2
Rotatable Bond Count	4

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