353791-85-2
J 113863
Name
J 113863
Formula
C30 H37 Cl2 N2 O2 . I
MolWeight
655.44
1Identification
【Name】
J 113863
【CAS】
【MDL】
MFCD09971097
【English Synonyms】
【Formula】
C30 H37 Cl2 N2 O2 . I
【MolWeight】
655.44
【Inchi】
InChI=1S/C30H36Cl2N2O2.HI/c1-2-34(20-21-8-6-4-3-5-7-9-21)16-14-24(15-17-34)33-30(35)29-25-18-22(31)10-12-27(25)36-28-13-11-23(32)19-26(28)29;/h8,10-13,18-19,24,29H,2-7,9,14-17,20H2,1H3;1H/b21-8+;/t24-,34+;
【InChIKey】
InChIKey=FOAFBMYSXIGAOX-KEKKVSGZSA-N
【SMILES】
CC[N@@+]1(CC[C@H](CC1)NC(=O)C2c3cc(ccc3Oc4c2cc(cc4)Cl)Cl)C/C/5=C/CCCCCC5.[I-]
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
J 113863.cml
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Business Type:Lab/Research institutions
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