944899-46-1
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-BROMO-3-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 5-BROMO-3-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-BROMO-3-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD10696855
【English Synonyms】
【Formula】
C13 H14 Br2 N2 O2
【MolWeight】
390.074
【Inchi】
InChI=1S/C13H14Br2N2O2/c1-13(2,3)19-12(18)17-11-5-4-8(15)6-9(11)10(7-14)16-17/h4-6H,7H2,1-3H3
【InChIKey】
InChIKey=RNGFAGYQFSGIOV-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccc(cc2c(n1)CBr)Br
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 5-BROMO-3-(BROMOMETHYL)-, 1,1-DIMETHYLETHYL ESTER.cml