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1706463-48-0 | (S)-2,6-Bis(3,5-bis(trifluoromethyl)phenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-sulfide
CAS No: 1706463-48-0 Catalog No: AG01FGRV MDL No:
Product Description
Catalog Number:
AG01FGRV
Chemical Name:
(S)-2,6-Bis(3,5-bis(trifluoromethyl)phenyl)-4-hydroxydinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepine 4-sulfide
CAS Number:
1706463-48-0
IUPAC Name:
10,16-bis[3,5-bis(trifluoromethyl)phenyl]-13-hydroxy-13-sulfanylidene-12,14-dioxa-13λ5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
InChI:
InChI=1S/C36H17F12O3PS/c37-33(38,39)21-9-19(10-22(15-21)34(40,41)42)27-13-17-5-1-3-7-25(17)29-30-26-8-4-2-6-18(26)14-28(32(30)51-52(49,53)50-31(27)29)20-11-23(35(43,44)45)16-24(12-20)36(46,47)48/h1-16H,(H,49,53)
InChI Key:
MXHPEAFAFDFKGJ-UHFFFAOYSA-N
Properties
Complexity:
1210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
788.044g/mol
Formal Charge:
0
Heavy Atom Count:
53
Hydrogen Bond Acceptor Count:
16
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
788.544g/mol
Monoisotopic Mass:
788.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.3
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