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1160861-60-8 | Phosphine, bis[3,5-bis(trifluoromethyl)phenyl][3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]-
CAS No: 1160861-60-8 Catalog No: AG000BL4 MDL No:MFCD17015286
Product Description
Catalog Number:
AG000BL4
Chemical Name:
Phosphine, bis[3,5-bis(trifluoromethyl)phenyl][3,6-dimethoxy-2',4',6'-tris(1-methylethyl)[1,1'-biphenyl]-2-yl]-
CAS Number:
1160861-60-8
Molecular Formula:
C39H37F12O2P
Molecular Weight:
796.6645
MDL Number:
MFCD17015286
IUPAC Name:
bis[3,5-bis(trifluoromethyl)phenyl]-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
InChI:
InChI=1S/C39H37F12O2P/c1-19(2)22-11-29(20(3)4)33(30(12-22)21(5)6)34-31(52-7)9-10-32(53-8)35(34)54(27-15-23(36(40,41)42)13-24(16-27)37(43,44)45)28-17-25(38(46,47)48)14-26(18-28)39(49,50)51/h9-21H,1-8H3
InChI Key:
KYTUFIMHJNRPLC-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1P(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(cc(cc1C(C)C)C(C)C)C(C)C)OC
Properties
Complexity:
1070
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
796.234g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
796.678g/mol
Monoisotopic Mass:
796.234g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
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