219507-79-6
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-CHLORO-6-NITRO-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 3-CHLORO-6-NITRO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-CHLORO-6-NITRO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD11617129
【English Synonyms】
【Formula】
C12 H12 Cl N3 O4
【MolWeight】
297.697
【Inchi】
InChI=1S/C12H12ClN3O4/c1-12(2,3)20-11(17)15-9-6-7(16(18)19)4-5-8(9)10(13)14-15/h4-6H,1-3H3
【InChIKey】
InChIKey=GDLPSTZFEFRBQA-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2cc(ccc2c(n1)Cl)[N+](=O)[O-]
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-CHLORO-6-NITRO-, 1,1-DIMETHYLETHYL ESTER.cml