824429-55-2
1-(6-IODO-3,4-DIHYDRO-2H-[1,8]NAPHTHYRIDIN-1-YL)-2,2-DIMETHYL-PROPAN-1-ONE
Name1-(6-IODO-3,4-DIHYDRO-2H-[1,8]NAPHTHYRIDIN-1-YL)-2,2-DIMETHYL-PROPAN-1-ONE
1Identification
【Name】
1-(6-IODO-3,4-DIHYDRO-2H-[1,8]NAPHTHYRIDIN-1-YL)-2,2-DIMETHYL-PROPAN-1-ONE
【CAS】
【MDL】
MFCD06659022
【English Synonyms】
【Formula】
C13 H17 I N2 O
【MolWeight】
344.19
【Inchi】
InChI=1S/C13H17IN2O/c1-13(2,3)12(17)16-6-4-5-9-7-10(14)8-15-11(9)16/h7-8H,4-6H2,1-3H3
【InChIKey】
InChIKey=BJYMBIKIEYRROY-UHFFFAOYSA-N
【SMILES】
CC(C)(C)C(=O)N1CCCc2c1ncc(c2)I
【MOL File】
1-(6-IODO-3,4-DIHYDR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1-(6-IODO-3,4-DIHYDRO-2H-[1,8]NAPHTHYRIDIN-1-YL)-2,2-DIMETHYL-PROPAN-1-ONE.cml