129488-25-1
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
Name1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-NITRO-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD11617233
【English Synonyms】
【Formula】
C13 H16 N2 O4
【MolWeight】
264.279
【Inchi】
InChI=1S/C13H16N2O4/c1-13(2,3)19-12(16)14-7-6-9-8-10(15(17)18)4-5-11(9)14/h4-5,8H,6-7H2,1-3H3
【InChIKey】
InChIKey=XAHXDZHKYXQFKW-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2c1ccc(c2)[N+](=O)[O-]
【MOL File】
1H-INDOLE-1-CARBOXYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1H-INDOLE-1-CARBOXYLIC ACID, 2,3-DIHYDRO-5-NITRO-, 1,1-DIMETHYLETHYL ESTER.cml