2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acid
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Product Code | F689841 |
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Product Name | 2-((tert-Butoxycarbonyl)amino)-5-(trifluoromethyl)benzoic acid |
CAS | 141940-29-6 |
Purity | 97% |
Molecular weight | 305.253 |
IUPAC Name | 2-{[(tert-butoxy)carbonyl]amino}-5-(trifluoromethyl)benzoic acid |
SMILES | CC(C)(C)OC(=O)NC1=C(C=C(C=C1)C(F)(F)F)C(O)=O |
INCHI Code | InChI=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 atoms | 0 |
LogP | 3.4196384 |
H bond acceptors | 4 |
H bond donors | 2 |
fsp3 | 0.3846154 |
Concept Codes | Phenyl, Carboxylic acid, Secondary amine, Amine (P+S+T), Fluoro, Halo, NBOC, Trifluoromethyl, Carbamate, Amino acid, Cyclic, Aromatic, Benzoic acid, PFA01, PFA02 |