929617-39-0
1H-INDAZOLE-1-CARBOXYLIC ACID,6-AMINO-5-BROMO-,1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID,6-AMINO-5-BROMO-,1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID,6-AMINO-5-BROMO-,1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD11976291
【English Synonyms】
【Formula】
C12 H14 Br N3 O2
【MolWeight】
312.166
【Inchi】
InChI=1S/C12H14BrN3O2/c1-12(2,3)18-11(17)16-10-5-9(14)8(13)4-7(10)6-15-16/h4-6H,14H2,1-3H3
【InChIKey】
InChIKey=WWQUUMLKQHHYML-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2cc(c(cc2cn1)Br)N
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID,6-AMINO-5-BROMO-,1,1-DIMETHYLETHYL ESTER.cml