108357-17-1
1-(2-HYDROXY-3-(4-(4-NITROBENZOYL)PHENOXY)PROPYL)-4-PHENYLPYRIDINIUM CHLORIDE
Name1-(2-HYDROXY-3-(4-(4-NITROBENZOYL)PHENOXY)PROPYL)-4-PHENYLPYRIDINIUM CHLORIDE
FormulaC27 H23 N2 O5 . Cl
1Identification
【Name】
1-(2-HYDROXY-3-(4-(4-NITROBENZOYL)PHENOXY)PROPYL)-4-PHENYLPYRIDINIUM CHLORIDE
【CAS】
【MDL】
MFCD01758728
【English Synonyms】
【Formula】
C27 H23 N2 O5 . Cl
【MolWeight】
490.941
【Inchi】
InChI=1S/C27H23N2O5.ClH/c30-25(18-28-16-14-21(15-17-28)20-4-2-1-3-5-20)19-34-26-12-8-23(9-13-26)27(31)22-6-10-24(11-7-22)29(32)33;/h1-17,25,30H,18-19H2;1H/q+1;/p-1
【InChIKey】
InChIKey=HTBDAUVQDFFXCL-UHFFFAOYSA-M
【SMILES】
c1ccc(cc1)c2cc[n+](cc2)CC(COc3ccc(cc3)C(=O)c4ccc(cc4)[N+](=O)[O-])O.[Cl-]
【MOL File】
1-(2-HYDROXY-3-(4-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-HYDROXY-3-(4-(4-NITROBENZOYL)PHENOXY)PROPYL)-4-PHENYLPYRIDINIUM CHLORIDE.cml