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Home > Fluorides > 188111-77-5
188111-77-5 | Benzenemethanol, 3,5-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]-
CAS No: 188111-77-5 Catalog No: AG002GPH MDL No:
Product Description
Catalog Number:
AG002GPH
Chemical Name:
Benzenemethanol, 3,5-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]-
CAS Number:
188111-77-5
Molecular Formula:
C21H10F10O3
Molecular Weight:
500.2863
IUPAC Name:
[3,5-bis[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]methanol
InChI:
InChI=1S/C21H10F10O3/c22-12-10(13(23)17(27)20(30)16(12)26)5-33-8-1-7(4-32)2-9(3-8)34-6-11-14(24)18(28)21(31)19(29)15(11)25/h1-3,32H,4-6H2
InChI Key:
FSLJKUFUHPVNIT-UHFFFAOYSA-N
SMILES:
OCc1cc(OCc2c(F)c(F)c(c(c2F)F)F)cc(c1)OCc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
500.047g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
500.292g/mol
Monoisotopic Mass:
500.047g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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