CAS
921620-15-7 Purity
96%
921620-15-7 Purity
96%
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5-(4-Cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
CAS
921620-33-9
Catalog Number
ACM921620339
Category
Other Products
Molecular Weight
367.284230 [g/mol]
Molecular Formula
C18H8F3N5O
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Specification
Synonyms
5-(4-CYANOPHENOXY)-3-(3-(TRIFLUOROMETHYL)PHENYL)-1,2,4-TRIAZINE-6-CARBONITRILE, 921620-33-9, SureCN5616412, CTK5H0970, AG-H-78182
IUPAC Name
5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile
Canonical SMILES
C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=C(N=N2)C#N)OC3=CC=C(C=C3)C#N
InChI Key
XCZZSVAOIZPGEW-UHFFFAOYSA-N
Exact Mass
367.06800
H-Bond Acceptor
9
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula of the compound is C18H8F3N5O.
What is the molecular weight of the compound?
The molecular weight of the compound is 367.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(4-cyanophenoxy)-3-[3-(trifluoromethyl)phenyl]-1,2,4-triazine-6-carbonitrile.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C18H8F3N5O/c19-18(20,21)13-3-1-2-12(8-13)16-24-17(15(10-23)25-26-16)27-14-6-4-11(9-22)5-7-14/h1-8H.
What is the InChIKey of the compound?
The InChIKey of the compound is XCZZSVAOIZPGEW-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)C(F)(F)F)C2=NC(=C(N=N2)C#N)OC3=CC=C(C=C3)C#N.
What is the CAS number of the compound?
The CAS number of the compound is 921620-33-9.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.4.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 9 hydrogen bond acceptor counts.
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CAS
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921620-16-8 Purity
96%
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CAS
921620-20-4 Purity
96%
921620-20-4 Purity
96%
