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methyl 2-isocyanato-4-methyl-2-(trifluoromethyl)pentanoate

methyl 2-isocyanato-4-methyl-2-(trifluoromethyl)pentanoate

Systemtic Name:methyl 2-isocyanato-4-methyl-2-(trifluoromethyl)pentanoate
Openeye Name:methyl 2-isocyanato-4-methyl-2-(trifluoromethyl)pentanoate
CAS Name:2-isocyanato-4-methyl-2-(trifluoromethyl)pentanoic acid methyl ester
IUPAC Name:methyl 2-isocyanato-4-methyl-2-(trifluoromethyl)pentanoate
Traditional Name:2-isocyanato-4-methyl-2-(trifluoromethyl)valeric acid methyl ester
Formula: C9H12F3NO3
MolecularWeight: 239.19169
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)(C(F)(F)F)N=C=O


Isomeric SMILES

CC(C)CC(C(=O)OC)(C(F)(F)F)N=C=O


InChI

InChI=1S/C9H12F3NO3/c1-6(2)4-8(13-5-14,7(15)16-3)9(10,11)12/h6H,4H2,1-3H3


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