590391-53-0
2-TERT-BUTYL-5-CHLORO-7-METHYL-1H-INDOLE-3-CARBALDEHYDE
Name2-TERT-BUTYL-5-CHLORO-7-METHYL-1H-INDOLE-3-CARBALDEHYDE
1Identification
【Name】
2-TERT-BUTYL-5-CHLORO-7-METHYL-1H-INDOLE-3-CARBALDEHYDE
【CAS】
【MDL】
MFCD05181081
【English Synonyms】
【Formula】
C14 H16 Cl N O
【MolWeight】
249.739
【Inchi】
InChI=1S/C14H16ClNO/c1-8-5-9(15)6-10-11(7-17)13(14(2,3)4)16-12(8)10/h5-7,16H,1-4H3
【InChIKey】
InChIKey=FMROCTROXVNFMQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc2c1[nH]c(c2C=O)C(C)(C)C)Cl
【MOL File】
2-TERT-BUTYL-5-CHLOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-TERT-BUTYL-5-CHLORO-7-METHYL-1H-INDOLE-3-CARBALDEHYDE.cml