842136-14-5
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-[(4-ETHYLPHENYL)METHYL]-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDAZOLE-1-CARBOXYLIC ACID, 3-[(4-ETHYLPHENYL)METHYL]-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-[(4-ETHYLPHENYL)METHYL]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13182969
【English Synonyms】
【Formula】
C21 H24 N2 O2
【MolWeight】
336.433
【Inchi】
InChI=1S/C21H24N2O2/c1-5-15-10-12-16(13-11-15)14-18-17-8-6-7-9-19(17)23(22-18)20(24)25-21(2,3)4/h6-13H,5,14H2,1-4H3
【InChIKey】
InChIKey=WVPMXSVOUKRRGC-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)Cc2c3ccccc3n(n2)C(=O)OC(C)(C)C
【MOL File】
1H-INDAZOLE-1-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-1-CARBOXYLIC ACID, 3-[(4-ETHYLPHENYL)METHYL]-, 1,1-DIMETHYLETHYL ESTER.cml