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1197922-04-5 | Spiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium], 2,6-bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydro-, bromide (1:1), (11bS)-
CAS No: 1197922-04-5 Catalog No: AG000PN0 MDL No:
Product Description
Catalog Number:
AG000PN0
Chemical Name:
Spiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium], 2,6-bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydro-, bromide (1:1), (11bS)-
CAS Number:
1197922-04-5
IUPAC Name:
[16'-[bis[3,5-bis(trifluoromethyl)phenyl]-hydroxymethyl]spiro[1,4-oxazinan-4-ium-4,13'-13-azoniapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene]-10'-yl]-bis[3,5-bis(trifluoromethyl)phenyl]methanol;bromide
InChI:
InChI=1S/C60H36F24NO3.BrH/c61-53(62,63)35-15-31(16-36(23-35)54(64,65)66)51(86,32-17-37(55(67,68)69)24-38(18-32)56(70,71)72)47-13-29-5-1-3-7-43(29)49-45(47)27-85(9-11-88-12-10-85)28-46-48(14-30-6-2-4-8-44(30)50(46)49)52(87,33-19-39(57(73,74)75)25-40(20-33)58(76,77)78)34-21-41(59(79,80)81)26-42(22-34)60(82,83)84;/h1-8,13-26,86-87H,9-12,27-28H2;1H/q+1;/p-1
InChI Key:
UVHZWWMJSAGSJH-UHFFFAOYSA-M
Properties
Complexity:
2030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
1353.15g/mol
Formal Charge:
0
Heavy Atom Count:
89
Hydrogen Bond Acceptor Count:
28
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
1354.818g/mol
Monoisotopic Mass:
1353.15g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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