562048-05-9
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-(4-ETHYLPHENYL)-2-OXOETHYL ESTER
Name1H-INDAZOLE-3-CARBOXYLIC ACID, 2-(4-ETHYLPHENYL)-2-OXOETHYL ESTER
1Identification
【Name】
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-(4-ETHYLPHENYL)-2-OXOETHYL ESTER
【CAS】
【MDL】
MFCD04779650
【English Synonyms】
【Formula】
C18 H16 N2 O3
【MolWeight】
308.335
【Inchi】
InChI=1S/C18H16N2O3/c1-2-12-7-9-13(10-8-12)16(21)11-23-18(22)17-14-5-3-4-6-15(14)19-20-17/h3-10H,2,11H2,1H3,(H,19,20)
【InChIKey】
InChIKey=BZQFSNYTGFRWES-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)C(=O)COC(=O)c2c3ccccc3[nH]n2
【MOL File】
1H-INDAZOLE-3-CARBOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDAZOLE-3-CARBOXYLIC ACID, 2-(4-ETHYLPHENYL)-2-OXOETHYL ESTER.cml