954238-43-8 Purity
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Specification
The molecular formula is C12H15F3N2O2.
The synonyms are 954239-03-3, tert-Butyl (2-amino-5-(trifluoromethyl)phenyl)carbamate, (2-Amino-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester, TERT-BUTYL N-[2-AMINO-5-(TRIFLUOROMETHYL)PHENYL]CARBAMATE, and YLIQJMVMNGQZQU-UHFFFAOYSA-N.
The molecular weight is 276.25 g/mol.
The IUPAC name is tert-butyl N-[2-amino-5-(trifluoromethyl)phenyl]carbamate.
The InChI of (2-Amino-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester is InChI=1S/C12H15F3N2O2/c1-11(2,3)19-10(18)17-9-6-7(12(13,14)15)4-5-8(9)16/h4-6H,16H2,1-3H3,(H,17,18).
The InChIKey of (2-Amino-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester is YLIQJMVMNGQZQU-UHFFFAOYSA-N.
The canonical SMILES of (2-Amino-5-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester is CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(F)(F)F)N.
The XLogP3 value is 2.8.
It has 2 hydrogen bond donor counts.
It has 6 hydrogen bond acceptor counts.