CAS
94200-50-7 Purity
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94200-50-7 Purity
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3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-(trifluoromethyl)dodecyl dihydrogen phosphate
CAS
94200-56-3
Catalog Number
ACM94200563
Category
Other Products
Molecular Weight
694.121375 [g/mol]
Molecular Formula
C13H6F23O4P
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Specification
Synonyms
EINECS 303-535-0, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-(trifluoromethyl)dodecyl dihydrogen phosphate, 94200-56-3
IUPAC Name
[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] dihydrogen phosphate
Canonical SMILES
C(COP(=O)(O)O)C(C(C(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)(F)F)(F)F
InChI Key
XVPQHRLANPJWIF-UHFFFAOYSA-N
Boiling Point
333.5ºC at 760mmHg
Flash Point
155.5ºC
Density
1.759g/cm³
EC Number
303-535-0
Exact Mass
693.96400
H-Bond Acceptor
27
H-Bond Donor
2
What is the molecular formula of the compound based on the reference?
The molecular formula of the compound is C13H6F23O4P.
What are the synonyms of the compound according to the reference?
The synonyms of the compound are 94200-56-3 EINECS 303-535-0 and (Perfluoro-9-methyldecyl)ethyl dihydrogen phosphate.
What is the molecular weight of the compound?
The molecular weight of the compound is 694.12 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] dihydrogen phosphate.
What is the InChIKey of the compound?
The InChIKey of the compound is XVPQHRLANPJWIF-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 6.6.
How many hydrogen bond acceptor counts does the compound have?
The compound has 27 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 66.8 Ų.
How many rotatable bond counts does the compound have?
The compound has 12 rotatable bond counts.
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