942189-50-6
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD10696852
【English Synonyms】
【Formula】
C13 H14 Br N3 O4
【MolWeight】
356.175
【Inchi】
InChI=1S/C13H14BrN3O4/c1-13(2,3)21-12(18)16-11-5-4-8(17(19)20)6-9(11)10(7-14)15-16/h4-6H,7H2,1-3H3
【InChIKey】
InChIKey=KUBBZSQVYYZRCO-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccc(cc2c(n1)CBr)[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:FB
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-NITRO-, 1,1-DIMETHYLETHYL ESTER.cml