CAS
94158-61-9 Purity
96%
94158-61-9 Purity
96%
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4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl dihydrogen phosphate
CAS
94158-69-7
Catalog Number
ACM94158697
Category
Other Products
Molecular Weight
574.124835 [g/mol]
Molecular Formula
C11H8F17O5P
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Specification
Synonyms
EINECS 303-141-9, CID3034685, 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl dihydrogen phosphate, 94158-69-7
IUPAC Name
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl) dihydrogen phosphate
Canonical SMILES
C(C(COP(=O)(O)O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key
ZAAFLQNFGSTNRW-UHFFFAOYSA-N
Boiling Point
363.5ºC at 760mmHg
Flash Point
173.6ºC
Density
1.758g/cm³
EC Number
303-141-9
Exact Mass
573.98400
H-Bond Acceptor
22
H-Bond Donor
3
What is the molecular formula of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl dihydrogen phosphate?
The molecular formula is C11H8F17O5P.
What is the molecular weight of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-hydroxyundecyl dihydrogen phosphate?
The molecular weight is 574.12 g/mol.
What is the IUPAC name of the chemical?
(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl) dihydrogen phosphate.
What is the Canonical SMILES of the chemical?
C(C(COP(=O)(O)O)O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F.
What is the InChIKey of the chemical?
ZAAFLQNFGSTNRW-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the chemical have?
It has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the chemical have?
It has 22 hydrogen bond acceptor counts.
What is the topological polar surface area of the chemical?
The topological polar surface area is 87 Å2.
How many rotatable bonds does the chemical have?
It has 11 rotatable bonds.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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