CAS
936233-17-9 Purity
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936233-17-9 Purity
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Benzonitrile,2,6-bis(2,2,2-trifluoroethoxy)-
CAS
93624-57-8
Catalog Number
ACM93624578
Category
Other Products
Molecular Weight
299.1692
Molecular Formula
C11H7F6NO2
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Specification
Synonyms
Maybridge1_005459, DivK1c_001747, CDS1_000707, MWP 00904, ZINC00162066, CID2736080, SR-01000636496-1, 93624-57-8
IUPAC Name
2,6-bis(2,2,2-trifluoroethoxy)benzonitrile
InChI Key
YVHZUTZJZUYWBO-UHFFFAOYSA-N
Boiling Point
305.9ºC at 760 mmHg
Melting Point
115-117ºC
Flash Point
138.8ºC
Density
1.42 g/cm³
Appearance
white solid
Exact Mass
299.03800
Hazard Statements
Xi
H-Bond Acceptor
9
H-Bond Donor
0
Packing Group
III
Safety Description
22 26-36/37 39
What is the molecular formula of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?
The molecular formula is C11H7F6NO2.
What is the molecular weight of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?
The molecular weight is 299.17 g/mol.
What is the IUPAC name of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?
The IUPAC name is 2,6-bis(2,2,2-trifluoroethoxy)benzonitrile.
What is the Canonical SMILES of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?
The Canonical SMILES is C1=CC(=C(C(=C1)OCC(F)(F)F)C#N)OCC(F)(F)F.
What is the InChIKey of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?
The InChIKey is YVHZUTZJZUYWBO-UHFFFAOYSA-N.
What is the CAS number of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?
The CAS number is 93624-57-8.
How many hydrogen bond acceptor counts does Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy) have?
It has 9 hydrogen bond acceptor counts.
What is the XLogP3-AA value of Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy)?
The XLogP3-AA value is 3.8.
Is Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy) a covalently-bonded unit?
Yes, it is a covalently-bonded unit.
How many rotatable bond counts does Benzonitrile, 2,6-bis(2,2,2-trifluoroethoxy) have?
It has 4 rotatable bond counts.
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