518990-29-9
1H-INDAZOLE-1-CARBOXYLIC ACID, 4-FLUORO-3-IODO-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 4-FLUORO-3-IODO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 4-FLUORO-3-IODO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD10696813
【English Synonyms】
【Formula】
C12 H12 F I N2 O2
【MolWeight】
362.137
【Inchi】
InChI=1S/C12H12FIN2O2/c1-12(2,3)18-11(17)16-8-6-4-5-7(13)9(8)10(14)15-16/h4-6H,1-3H3
【InChIKey】
InChIKey=DLCOJUFTSLCSNY-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2cccc(c2c(n1)I)F
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 4-FLUORO-3-IODO-, 1,1-DIMETHYLETHYL ESTER.cml