944904-81-8
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER
pro_formulaC20 H21 Br N2 O3
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD10696851
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H21 Br N2 O3
【pro_molWeight】
417.301
【Inchi】
InChI=1S/C20H21BrN2O3/c1-20(2,3)26-19(24)23-18-10-9-15(11-16(18)17(12-21)22-23)25-13-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3
【InChIKey】
InChIKey=XCUILBNQOWFSGL-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)n1c2ccc(cc2c(n1)CBr)OCc3ccccc3
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER.cml