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2894-87-3 | [1,1'-Biphenyl]-4-ol, 2,2',3,3',4',5,5',6,6'-nonafluoro-
CAS No: 2894-87-3 Catalog No: AG002X58 MDL No:MFCD00134468
Product Description
Catalog Number:
AG002X58
Chemical Name:
[1,1'-Biphenyl]-4-ol, 2,2',3,3',4',5,5',6,6'-nonafluoro-
CAS Number:
2894-87-3
Molecular Formula:
C12HF9O
Molecular Weight:
332.1214
MDL Number:
MFCD00134468
IUPAC Name:
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenol
InChI:
InChI=1S/C12HF9O/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H
InChI Key:
MLXJPZBMOLLESC-UHFFFAOYSA-N
SMILES:
Fc1c(O)c(F)c(c(c1F)c1c(F)c(F)c(c(c1F)F)F)F
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.988g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.125g/mol
Monoisotopic Mass:
331.988g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
Literature
| Title | Journal |
|---|---|
| PBDE: structure-activity studies for the inhibition of hepatitis C virus NS3 helicase. | Molecules (Basel, Switzerland) 20140402 |
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