877264-74-9
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-(2-BROMOACETYL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 5-(2-BROMOACETYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-(2-BROMOACETYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13182994
【English Synonyms】
【Formula】
C14 H15 Br N2 O3
【MolWeight】
339.188
【Inchi】
InChI=1S/C14H15BrN2O3/c1-14(2,3)20-13(19)17-11-5-4-9(12(18)7-15)6-10(11)8-16-17/h4-6,8H,7H2,1-3H3
【InChIKey】
InChIKey=OZIVMDWHYAMNDA-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccc(cc2cn1)C(=O)CBr
【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, 5-(2-BROMOACETYL)-, 1,1-DIMETHYLETHYL ESTER.cml