CAS
94088-38-7 Purity
96%
94088-38-7 Purity
96%
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Benzonitrile,2,6-bis(phenylmethoxy)-
CAS
94088-47-8
Catalog Number
ACM94088478
Category
Other Products
Molecular Weight
315.37
Molecular Formula
C21H17NO2
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Specification
Synonyms
ZINC00156564, 2,6-Bis(phenylmethoxy)benzonitrile, EINECS 302-048-0, CID3023483, LT00455273, 94088-47-8
IUPAC Name
2,6-bis(phenylmethoxy)benzonitrile
Canonical SMILES
C1=CC=C(C=C1)COC2=C(C(=CC=C2)OCC3=CC=CC=C3)C#N
InChI Key
VMVKBYOKFOFDOD-UHFFFAOYSA-N
Boiling Point
514.4ºC at 760mmHg
Melting Point
122-124ºC
Flash Point
178.9ºC
Density
1.19g/cm³
EC Number
302-048-0
Exact Mass
315.12600
H-Bond Acceptor
3
H-Bond Donor
0
Safety Description
S22-S24/25
What is the molecular formula of Benzonitrile,2,6-bis(phenylmethoxy)?
The molecular formula is C21H17NO2.
What is the molecular weight of Benzonitrile,2,6-bis(phenylmethoxy)?
The molecular weight is 315.4 g/mol.
What are some synonyms for Benzonitrile,2,6-bis(phenylmethoxy)?
Some synonyms include 2,6-DIBENZYLOXYBENZONITRILE, 2,6-Bis(phenylmethoxy)benzonitrile, and 2,6-bis(benzyloxy)benzonitrile.
What is the InChIKey for Benzonitrile,2,6-bis(phenylmethoxy)?
The InChIKey is VMVKBYOKFOFDOD-UHFFFAOYSA-N.
How many hydrogen bond acceptors does Benzonitrile,2,6-bis(phenylmethoxy) have?
It has 3 hydrogen bond acceptors.
What is the XLogP3-AA value for Benzonitrile,2,6-bis(phenylmethoxy)?
The XLogP3-AA value is 4.6.
How many rotatable bond counts does Benzonitrile,2,6-bis(phenylmethoxy) have?
It has 6 rotatable bond counts.
What is the topological polar surface area of Benzonitrile,2,6-bis(phenylmethoxy)?
The topological polar surface area is 42.2 Ų.
Does Benzonitrile,2,6-bis(phenylmethoxy) have any defined atom or bond stereo centers?
No, it does not have any defined atom or bond stereo centers.
Is Benzonitrile,2,6-bis(phenylmethoxy) considered to be canonicalized compound?
Yes, the compound is canonicalized.
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