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96%
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4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-1-phenoxy-10-(trifluoromethyl)undecan-2-ol
CAS
94159-92-9
Catalog Number
ACM94159929
Category
Other Products
Molecular Weight
620.248401 [g/mol]
Molecular Formula
C18H11F19O2
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Specification
Synonyms
EINECS 303-274-2, CID3023877, 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-1-phenoxy-10-(trifluoromethyl)undecan-2-ol, 94159-92-9
IUPAC Name
4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-1-phenoxy-10-(trifluoromethyl)undecan-2-ol
Canonical SMILES
C1=CC=C(C=C1)OCC(CC(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI Key
BVQDBQFRYDVCDL-UHFFFAOYSA-N
Boiling Point
341.4ºC at 760mmHg
Flash Point
159.1ºC
Density
1.562g/cm³
EC Number
303-274-2
Exact Mass
620.04600
H-Bond Acceptor
21
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C18H11F19O2.
When was the compound created in PubChem?
The compound was created in PubChem on August 8, 2005.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-1-phenoxy-10-(trifluoromethyl)undecan-2-ol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 29.5 Å^2.
What is the exact mass of the compound?
The exact mass of the compound is 620.0455647 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 21 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 8.1.
What is the heavy atom count of the compound?
The heavy atom count of the compound is 39.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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