851942-89-7
(11bR)-(–)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1,2-e]azepinium bromide

InChI=1S/C42H36F6N.BrH/c1-3-5-15-49(16-6-4-2)23-33-31(27-19-35(43)41(47)36(44)20-27)17-25-11-7-9-13-29(25)39(33)40-30-14-10-8-12-26(30)18-32(34(40)24-49)28-21-37(45)42(48)38(46)22-28;/h7-14,17-22H,3-6,15-16,23-24H2,1-2H3;1H/q+1;/p-1

【InChIKey】

InChIKey=LOMUZNOWQYZTRP-UHFFFAOYSA-M

【SMILES】

CCCC[N+]1(Cc2c(cc3ccccc3c2-c4c5ccccc5cc(c4C1)c6cc(c(c(c6)F)F)F)c7cc(c(c(c7)F)F)F)CCCC.[Br-]

【MOL File】

(11bR)-(–)-4,4-Dibut….mol

2ChemicalProperties

【ComputedProperties】

pro_donors:0

pro_acceptors:1

XLogP3:11.0

Bulk/Fine:F

3MaterialMSDS

【secure_infosecure_symbol】

GHS07

【secure_damage_code】

【secure_risk_disclosure_stmt】

36/37/38

【secure_security_stmt】

【secure_wgk_germany】

4CMLFile

(11bR)-(–)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1,2-e]azepinium bromide.cml

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851942-89-7 (11bR)-(–)-4,4-Dibutyl-4,5-dihydro-2,6-bis(3,4,5-trifluorophenyl)-3H-dinaphth[2,1-c:1,2-e]azepinium bromide

1Identification

【Name】

【CAS】

【MDL】

【中文同义词】

【EnglishSynonyms】

【pro_formula】

【pro_molWeight】

【Inchi】