561304-40-3
2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(TRIFLUOROMETHOXY)BENZOIC ACID
Name2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(TRIFLUOROMETHOXY)BENZOIC ACID
1Identification
【Name】
2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(TRIFLUOROMETHOXY)BENZOIC ACID
【CAS】
【MDL】
MFCD09800581
【English Synonyms】
【Formula】
C13 H14 F3 N O5
【MolWeight】
321.25
【Inchi】
InChI=1S/C13H14F3NO5/c1-12(2,3)22-11(20)17-9-7(10(18)19)5-4-6-8(9)21-13(14,15)16/h4-6H,1-3H3,(H,17,20)(H,18,19)
【InChIKey】
InChIKey=DYINHAOLKZFJQC-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)Nc1c(cccc1OC(F)(F)F)C(=O)O
【MOL File】
2-[(TERT-BUTOXYCARBO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(TRIFLUOROMETHOXY)BENZOIC ACID.cml