209804-25-1
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 5-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13183030
【English Synonyms】
【Formula】
C13 H15 Br N2 O2
【MolWeight】
311.177
【Inchi】
InChI=1S/C13H15BrN2O2/c1-13(2,3)18-12(17)16-11-5-4-9(7-14)6-10(11)8-15-16/h4-6,8H,7H2,1-3H3
【InChIKey】
InChIKey=LKQALJCINTYLIY-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccc(cc2cn1)CBr
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER.cml