2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acid

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CAS141940-29-6
Purity%
Product CodeF689841
Product Name2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acid
CAS141940-29-6
Purity97%
Molecular weight305.253
IUPAC Name2-{[(tert-butoxy)carbonyl]amino}-5-(trifluoromethyl)benzoic acid
SMILESCC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(O)=O
INCHI CodeInChI=1S/C13H14F3NO4/c1-12(2,3)21-11(20)17-9-5-4-7(13(14,15)16)6-8(9)10(18)19/h4-6H,1-3H3,(H,17,20)(H,18,19)
Asymmetric atoms0
LogP3.4196384
H bond acceptors4
H bond donors2
fsp30.3846154
Concept CodesPhenyl, Carboxylic acid, Secondary amine, Amine (P+S+T), Fluoro, Halo, NBOC, Trifluoromethyl, Carbamate, Amino acid, Cyclic, Aromatic, Benzoic acid, PFA01, PFA02