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Home > Fluorides > 123068-23-5
123068-23-5 | Phenol, 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-
CAS No: 123068-23-5 Catalog No: AG000K1A MDL No:
Product Description
Catalog Number:
AG000K1A
Chemical Name:
Phenol, 4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-
CAS Number:
123068-23-5
Molecular Formula:
C10H5F9O
Molecular Weight:
312.1317
IUPAC Name:
4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)phenol
InChI:
InChI=1S/C10H5F9O/c11-7(12,5-1-3-6(20)4-2-5)8(13,14)9(15,16)10(17,18)19/h1-4,20H
InChI Key:
YHGQGMLMMONWKC-UHFFFAOYSA-N
SMILES:
FC(C(C(C(F)(F)F)(F)F)(F)F)(c1ccc(cc1)O)F
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.135g/mol
Monoisotopic Mass:
312.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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