850363-56-3
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-FORMYL-5-IODO-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 3-FORMYL-5-IODO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-FORMYL-5-IODO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183001
【English Synonyms】
【Formula】
C13 H13 I N2 O3
【MolWeight】
372.157
【Inchi】
InChI=1S/C13H13IN2O3/c1-13(2,3)19-12(18)16-11-5-4-8(14)6-9(11)10(7-17)15-16/h4-7H,1-3H3
【InChIKey】
InChIKey=OQRKUTJELAPBEJ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccc(cc2c(n1)C=O)I
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-FORMYL-5-IODO-, 1,1-DIMETHYLETHYL ESTER.cml