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
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD10696851
【English Synonyms】
【Formula】
C20 H21 Br N2 O3
【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
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-(BROMOMETHYL)-5-(PHENYLMETHOXY)-, 1,1-DIMETHYLETHYL ESTER.cml