InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1

【InChIKey】

InChIKey=IPSYPUKKXMNCNQ-PFHKOEEOSA-N

【SMILES】

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc(nc3NCc4cccc(c4)I)Cl)O)O

【MOL File】

2-CL-IB-MECA.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:4

H bond acceptor:10

XLogP3:2.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【Safety informationSymbol】

GHS07

【hazard symbol】

【Risk Code】

36/37/38

【Safe Code】

26-36

【WGK Germany】

4CML File

2-CL-IB-MECA.cml

Quick Release

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163042-96-4 2-CL-IB-MECA

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】