52834-64-7
METHYL 4,5,6,7-TETRAHYDRO-1-PHENYL-1H-INDAZOLE-5-CARBOXYLATE
NameMETHYL 4,5,6,7-TETRAHYDRO-1-PHENYL-1H-INDAZOLE-5-CARBOXYLATE
1Identification
【Name】
METHYL 4,5,6,7-TETRAHYDRO-1-PHENYL-1H-INDAZOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD11111481
【English Synonyms】
【Formula】
C15 H16 N2 O2
【MolWeight】
256.303
【Inchi】
InChI=1S/C15H16N2O2/c1-19-15(18)11-7-8-14-12(9-11)10-16-17(14)13-5-3-2-4-6-13/h2-6,10-11H,7-9H2,1H3
【InChIKey】
InChIKey=WQKSELVXLWBSLL-UHFFFAOYSA-N
【SMILES】
COC(=O)C1CCc2c(cnn2c3ccccc3)C1
【MOL File】
METHYL 4,5,6,7-TETRA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4,5,6,7-TETRAHYDRO-1-PHENYL-1H-INDAZOLE-5-CARBOXYLATE.cml