944899-43-8
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-CHLORO-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-CHLORO-, 1,1-DIMETHYLETHYL ESTER
FormulaC13 H14 Br Cl N2 O2
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-CHLORO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD10696853
【English Synonyms】
【Formula】
C13 H14 Br Cl N2 O2
【MolWeight】
345.623
【Inchi】
InChI=1S/C13H14BrClN2O2/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=CRTSOAUNUCOUFT-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccc(cc2c(n1)CBr)Cl
【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, 3-(BROMOMETHYL)-5-CHLORO-, 1,1-DIMETHYLETHYL ESTER.cml