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methyl 4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxylate

methyl 4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxylate

CAS: 1260826-96-7

Formula: C7H6F3NO3

SMILES: COC(=O)C1=NOC(=C1C)C(F)(F)F

IUPAC: methyl 4-methyl-5-(trifluoromethyl)-1,2-oxazole-3-carboxylate

InChI: InChI=1S/C7H6F3NO3/c1-3-4(6(12)13-2)11-14-5(3)7(8,9)10/h1-2H3

Composition: C (40.20%), H (2.89%), F (27.25%), N (6.70%), O (22.95%)

Molar Mass: 209.124

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 209.029977546
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DGADPYQOOIVCOW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.05
Topological Polar Surface Area 52.33
Polarizability 14.22
Ring Count 1
Rotatable Bond Count 3

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