565428-91-3
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-OXO-2-[(2,2,2-TRIFLUOROETHYL)AMINO]ETHYL ESTER
Name1H-INDAZOLE-3-CARBOXYLIC ACID, 2-OXO-2-[(2,2,2-TRIFLUOROETHYL)AMINO]ETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-OXO-2-[(2,2,2-TRIFLUOROETHYL)AMINO]ETHYL ESTER
【CAS】
【MDL】
MFCD05467932
【English Synonyms】
【Formula】
C12 H10 F3 N3 O3
【MolWeight】
301.223
【Inchi】
InChI=1S/C12H10F3N3O3/c13-12(14,15)6-16-9(19)5-21-11(20)10-7-3-1-2-4-8(7)17-18-10/h1-4H,5-6H2,(H,16,19)(H,17,18)
【InChIKey】
InChIKey=SWZRFKOAJUIQRD-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)c(n[nH]2)C(=O)OCC(=O)NCC(F)(F)F
【MOL File】
1H-INDAZOLE-3-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-OXO-2-[(2,2,2-TRIFLUOROETHYL)AMINO]ETHYL ESTER.cml