126164-68-9
3-(4-HYDROXYPHENYL)ADAMANTANECARBOXYLIC ACID 2,6-DICHLOROPHENYLAMIDE
Name3-(4-HYDROXYPHENYL)ADAMANTANECARBOXYLIC ACID 2,6-DICHLOROPHENYLAMIDE
1Identification
【Name】
3-(4-HYDROXYPHENYL)ADAMANTANECARBOXYLIC ACID 2,6-DICHLOROPHENYLAMIDE
【CAS】
【MDL】
MFCD01678051
【English Synonyms】
【Formula】
C23 H23 Cl2 N O2
【MolWeight】
416.346
【Inchi】
InChI=1S/C23H23Cl2NO2/c24-18-2-1-3-19(25)20(18)26-21(28)23-11-14-8-15(12-23)10-22(9-14,13-23)16-4-6-17(27)7-5-16/h1-7,14-15,27H,8-13H2,(H,26,28)/t14-,15+,22+,23-
【InChIKey】
InChIKey=NJXIWWHQAWGLTN-BCVIDUSVSA-N
【SMILES】
c1cc(c(c(c1)Cl)NC(=O)[C@@]23C[C@H]4C[C@@H](C2)C[C@](C4)(C3)c5ccc(cc5)O)Cl
【MOL File】
3-(4-HYDROXYPHENYL)A….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-HYDROXYPHENYL)ADAMANTANECARBOXYLIC ACID 2,6-DICHLOROPHENYLAMIDE.cml